Geometry & MOs

Info

ID:	36460
PubChem CID:	8007109
Reduced:	N2O2C18H23 (1)
Stoich.:	A2B2C18D23 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-28.3
Dipole, Da:	5.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769852
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methoxyphenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C[NH+](C)CC2=CC=CC=C2OC

DOS

IR

Vibrations