Geometry & MOs

Info

ID:

429938

PubChem CID:

135169993

Reduced:

OF3N5H14C20 (1)

Stoich.:

AB3C5D14E20 (1)

Weight, g/mol:

497.251478

ΔHf, kcal/mol:

-67.87

Dipole, Da:

8.47

IP(EA), eV:

 -9.01(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-N-[(3Z)-3-(aminomethylidene)-4-(7,8-dihydroquinolin-5-ylimino)-5,5,5-trifluoropent-1-en-2-yl]-1-N-[2-(aminomethyl)-3-iminopropyl]-2-methylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)NC(=O)C2=C(N(N=C2)C3=CN=CC4=CC=CC=C43)C(F)(F)F

DOS

IR

Vibrations