Geometry & MOs

Info

ID:	202006
PubChem CID:	79617414
Reduced:	NOC7H12 (2)
Stoich.:	ABC7D12 (2)
Weight, g/mol:	238.240899
ΔH_f, kcal/mol:	-73.74
Dipole, Da:	5.8
IP(EA), eV:	-8.7(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-cyclopropyl-3-N-methyl-1-N-(3-methylbutyl)cyclohexane-1,3-diamine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CC(C(C)OC)NC

DOS

IR

Vibrations