Geometry & MOs

Info

ID:	62383
PubChem CID:	26719657
Reduced:	Cl2N2O5H14C16 (1)
Stoich.:	A2B2C5D14E16 (1)
Weight, g/mol:	318.032668
ΔH_f, kcal/mol:	-92.07
Dipole, Da:	11.11
IP(EA), eV:	-8.99(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-2-methyl-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-])OC

DOS

IR

Vibrations