Geometry & MOs

Info

ID:	291403
PubChem CID:	112378971
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-107.79
Dipole, Da:	4.61
IP(EA), eV:	-9.34(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-(3-hydroxy-4-phenylbutan-2-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(=O)NC(C)C(CC1=CC=CC=C1)O

DOS

IR

Vibrations