Geometry & MOs

Info

ID:	261041
PubChem CID:	103215364
Reduced:	BrNO2F3C9H11 (1)
Stoich.:	ABC2D3E9F11 (1)
Weight, g/mol:	377.04072
ΔH_f, kcal/mol:	-210.37
Dipole, Da:	3.12
IP(EA), eV:	-9.31(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(2-ethylcyclohexyl)methanamine

Drug info:

PubChemData

Smile

CNC(COCC(F)(F)F)C1=C(C=CO1)Br

DOS

IR

Vibrations