Geometry & MOs

Info

ID:	220419
PubChem CID:	85189539
Reduced:	NO5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	369.147727
ΔH_f, kcal/mol:	-187.6
Dipole, Da:	3.14
IP(EA), eV:	-8.36(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-3-phenyl-1H-indole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCC1C(NC2CC(CC(C2C1=O)OC)OC)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations