Geometry & MOs

Info

ID:	418632
PubChem CID:	135106474
Reduced:	O2N5C21H21 (1)
Stoich.:	A2B5C21D21 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	31.17
Dipole, Da:	4.9
IP(EA), eV:	-8.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN2C1=C(C=N2)C(=O)N3C[C@H]([C@@H](C3)O)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations