Geometry & MOs

Info

ID:	69322
PubChem CID:	46530682
Reduced:	N5O6C21H21 (1)
Stoich.:	A5B6C21D21 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-105.01
Dipole, Da:	3.17
IP(EA), eV:	-8.4(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2,5-dimethylpyrrole-3-carboxamide

Drug info:

PubChemData

Smile

C=CCNC(=O)NC1=CC=C(C=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

DOS

IR

Vibrations