Geometry & MOs

Info

ID:	440831
PubChem CID:	135231740
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	321.289246
ΔH_f, kcal/mol:	-16.69
Dipole, Da:	4.2
IP(EA), eV:	-8.83(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-aminoethyl)imidazol-1-yl]butyl]-N'-cyclohexylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC(=C/C=C(/CNCC=O)\C(=C)C)C

DOS

IR

Vibrations