Geometry & MOs

Info

ID:	445402
PubChem CID:	135266868
Reduced:	O2N3H21C23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	432.284889
ΔH_f, kcal/mol:	-14.14
Dipole, Da:	3.16
IP(EA), eV:	-9.36(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(E)-3-[[4-amino-3-(2-hydroxyethoxy)-6-iminocyclohexa-2,4-dien-1-ylidene]amino]-1-pyrrolidin-1-ylbut-1-enyl]-ethylamino]-N-propylformamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=C(N=C(C=C2)C3=CC4=C(CNC4=O)C=C3)C)CNC=O

DOS

IR

Vibrations