Geometry & MOs

Info

ID:	54193
PubChem CID:	15047282
Reduced:	NOH15C16 (1)
Stoich.:	ABC15D16 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	32.53
Dipole, Da:	3.17
IP(EA), eV:	-9.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[benzyl(methyl)amino]methyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=O)CC2(C1=NC3=CC=CC=C32)CC=C

DOS

IR

Vibrations