Geometry & MOs

Info

ID:	84860
PubChem CID:	49870360
Reduced:	O3N6C18H20 (1)
Stoich.:	A3B6C18D20 (1)
Weight, g/mol:	359.114903
ΔH_f, kcal/mol:	49.61
Dipole, Da:	7.45
IP(EA), eV:	-8.93(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-[1-(4-chloro-1H-indol-2-yl)-2-methylpropyl]-1,2-dihydrotriazol-5-yl]-N-oxoprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC2=C(C=CC=C2N1)C(=O)N)N3C=C(NN3)/C=C/C(=O)N=O

DOS

IR

Vibrations