Geometry & MOs

Info

ID:	134031
PubChem CID:	51627791
Reduced:	N2O2C23H33 (1)
Stoich.:	A2B2C23D33 (1)
Weight, g/mol:	358.181191
ΔH_f, kcal/mol:	-30.8
Dipole, Da:	5.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.043694
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-[(2R)-1-ethylpyrrolidin-2-yl]methanamine

Drug info:

PubChemData

Smile

CCN1CCC[C@H]1C[NH2+]CC2=CC(=C(C=C2)OCC3=CC=CC=C3C)OC

DOS

IR

Vibrations