Geometry & MOs

Info

ID:	69787
PubChem CID:	47205395
Reduced:	N3O4C12H15 (1)
Stoich.:	A3B4C12D15 (1)
Weight, g/mol:	256.157563
ΔH_f, kcal/mol:	-71.34
Dipole, Da:	7.86
IP(EA), eV:	-9.81(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pentyl-4-phenyl-1H-pyrrole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)NC(=O)C1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations