Geometry & MOs

Info

ID:	415334
PubChem CID:	135088328
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	35.63
Dipole, Da:	3.39
IP(EA), eV:	-7.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=C3C=CSC3=NC(=N2)C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations