Geometry & MOs

Info

ID:	136165
PubChem CID:	51988934
Reduced:	NO2C19H26 (1)
Stoich.:	AB2C19D26 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	-38.83
Dipole, Da:	5.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.083339
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[4-[(2-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol

Drug info:

PubChemData

Smile

CC[C@H](CO)[NH2+]CC1=CC=C(C=C1)OCC2=CC=CC=C2C

DOS

IR

Vibrations