Geometry & MOs

Info

ID:	145240
PubChem CID:	53484343
Reduced:	ClOSN3C12H20 (1)
Stoich.:	ABCD3E12F20 (1)
Weight, g/mol:	403.179333
ΔH_f, kcal/mol:	-71.35
Dipole, Da:	5.98
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[4-(morpholin-4-ylmethyl)phenyl]cyclohexane-1-carboxamide;dihydrochloride

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)C2CCC(CC2)CN.Cl

DOS

IR

Vibrations