Geometry & MOs

Info

ID:	136196
PubChem CID:	51995921
Reduced:	ClNOC19H25 (1)
Stoich.:	ABCD19E25 (1)
Weight, g/mol:	317.154642
ΔH_f, kcal/mol:	-11.99
Dipole, Da:	8.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.061624
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]methyl]butan-2-amine

Drug info:

PubChemData

Smile

CC[C@@H](C)[NH2+]CC1=C(C=CC(=C1)Cl)OCC2=CC=CC(=C2)C

DOS

IR

Vibrations