Geometry & MOs

Info

ID:	269157
PubChem CID:	103616130
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	353.04022
ΔH_f, kcal/mol:	-122.56
Dipole, Da:	2.45
IP(EA), eV:	-8.95(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CCNC(=O)CCNCCCOCC(C)C

DOS

IR

Vibrations