Geometry & MOs

Info

ID:	156226
PubChem CID:	56369705
Reduced:	BrO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-50.51
Dipole, Da:	4.04
IP(EA), eV:	-8.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyclohexylamino)phenyl]-5-nitro-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=CC=CC(=C2C)C(=O)N3CCCC3)Br

DOS

IR

Vibrations