Geometry & MOs

Info

ID:	77388
PubChem CID:	48427687
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	-73.58
Dipole, Da:	3.91
IP(EA), eV:	-9.12(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-methylphenyl)methyl-prop-2-ynylamino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC#C)C(=O)CCC(=O)N2CCN(CC2)C(=O)C

DOS

IR

Vibrations