Geometry & MOs

Info

ID:	447234
PubChem CID:	135281361
Reduced:	NO6H23C27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	323.212826
ΔH_f, kcal/mol:	-161.71
Dipole, Da:	3.47
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-benzylpiperazin-1-yl)methyl]cyclohexan-1-amine;hydrochloride

Drug info:

PubChemData

Smile

C=CC(=O)N(C(CC1=CC=C(C=C1)O)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations