Geometry & MOs

Info

ID:	207925
PubChem CID:	80471851
Reduced:	NSC16H25 (1)
Stoich.:	ABC16D25 (1)
Weight, g/mol:	353.11544
ΔH_f, kcal/mol:	15.13
Dipole, Da:	1.28
IP(EA), eV:	-8.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(5-bromo-2-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)CNCC1(CC2CC2C1)CC3=CC=CS3

DOS

IR

Vibrations