Geometry & MOs

Info

ID:	75235
PubChem CID:	48423213
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-24.79
Dipole, Da:	3.96
IP(EA), eV:	-8.98(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[2-(diethylaminomethyl)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)C#N)OCC3CC3

DOS

IR

Vibrations