Geometry & MOs

Info

ID:	42305
PubChem CID:	8149416
Reduced:	N2O3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	320.209993
ΔH_f, kcal/mol:	-74.31
Dipole, Da:	5.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752952
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-(2-methylpropyl)amino]propanenitrile

Drug info:

PubChemData

Smile

CC(C)C[NH+](CCC#N)C[C@@H](COCC1=CC=C(C=C1)OC)O

DOS

IR

Vibrations