Geometry & MOs

Info

ID:	423719
PubChem CID:	135120069
Reduced:	ClO2N5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	408.181585
ΔH_f, kcal/mol:	-46.26
Dipole, Da:	5.6
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-1-[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexanecarbonyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2CCN(CC2)CC(=O)NC3=NC=C(C=C3)Cl)O

DOS

IR

Vibrations