Geometry & MOs

Info

ID:	39206
PubChem CID:	8139916
Reduced:	NO4C20H21 (1)
Stoich.:	AB4C20D21 (1)
Weight, g/mol:	341.222903
ΔH_f, kcal/mol:	-101.12
Dipole, Da:	4.71
IP(EA), eV:	-8.96(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(4-butoxybenzoyl)amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

DOS

IR

Vibrations