Geometry & MOs

Info

ID:	235167
PubChem CID:	92304168
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	321.147727
ΔH_f, kcal/mol:	-101.41
Dipole, Da:	4.77
IP(EA), eV:	-9.43(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-(4-nitrophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine

Drug info:

PubChemData

Smile

CC1CCC2(CC1)N([C@H](CO2)C(=O)NCC3=CC=CC=N3)C(=O)CC4=CC=CC=C4

DOS

IR

Vibrations