Geometry & MOs

Info

ID:	420064
PubChem CID:	135110972
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	293.162708
ΔH_f, kcal/mol:	-80.11
Dipole, Da:	3.66
IP(EA), eV:	-8.1(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-N-[(3-hydroxyphenyl)methyl]-3-methoxy-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCCN2C[C@H]([C@H](C2)O)CC3=NNC(=C3)C)OC

DOS

IR

Vibrations