Geometry & MOs

Info

ID:	131542
PubChem CID:	51223199
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	324.204907
ΔH_f, kcal/mol:	-79.04
Dipole, Da:	7.72
IP(EA), eV:	-8.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(1-methoxypropan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CCSC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations