Geometry & MOs

Info

ID:	59948
PubChem CID:	26512237
Reduced:	N2O4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	385.249118
ΔH_f, kcal/mol:	-120.88
Dipole, Da:	2.78
IP(EA), eV:	-8.31(0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3,4-dimethoxyphenyl)methyl-methyl-[2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCNC(=O)CN(C)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations