Geometry & MOs

Info

ID:	415298
PubChem CID:	135088290
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-59.52
Dipole, Da:	2.25
IP(EA), eV:	-8.78(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-methyl-N-(quinolin-8-ylmethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1CCNC(=O)C1CC(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations