Geometry & MOs

Info

ID:	172373
PubChem CID:	75500645
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-19.04
Dipole, Da:	4.15
IP(EA), eV:	-8.53(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-hydroxy-3-phenylbutanoyl)amino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC=CC2=C1NN=C2)(C3=CC=CC=C3)O

DOS

IR

Vibrations