Geometry & MOs

Info

ID:	130449
PubChem CID:	51090880
Reduced:	ClO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	336.12224
ΔH_f, kcal/mol:	-12.95
Dipole, Da:	3.16
IP(EA), eV:	-9.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-5-nitro-N-(pyridin-4-ylmethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=N1)C(=O)N(CC2=CC=NC=C2)C3CC3)Cl

DOS

IR

Vibrations