Geometry & MOs

Info

ID:	133602
PubChem CID:	51560945
Reduced:	N3O4C21H35 (1)
Stoich.:	A3B4C21D35 (1)
Weight, g/mol:	394.270582
ΔH_f, kcal/mol:	-161.79
Dipole, Da:	3.99
IP(EA), eV:	-8.58(0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2,4-dimethoxyphenyl)methyl-methyl-[2-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC(C)CN1CCO[C@@H](C1)CNC(=O)CN(C)CC2=C(C=C(C=C2)OC)OC

DOS

IR

Vibrations