Geometry & MOs

Info

ID:	318535
PubChem CID:	126651784
Reduced:	ON2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-70.73
Dipole, Da:	4.14
IP(EA), eV:	-9.16(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethyl-2-oxobutyl)-N-[(1-methylpyrrolidin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)C1=CC=CC=C1C(=O)NCCN(CCN)CCN

DOS

IR

Vibrations