Geometry & MOs

Info

ID:	200884
PubChem CID:	79458058
Reduced:	BrNOC18H18 (1)
Stoich.:	ABCD18E18 (1)
Weight, g/mol:	238.123676
ΔH_f, kcal/mol:	-9.12
Dipole, Da:	3.69
IP(EA), eV:	-9.19(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[(2-chlorophenyl)methyl]cyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3CC2)Br

DOS

IR

Vibrations