Geometry & MOs

Info

ID:	420918
PubChem CID:	135115040
Reduced:	OSN4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	13.26
Dipole, Da:	3.58
IP(EA), eV:	-9.33(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-3-methoxy-N-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)NCC2=CSC(=N2)C

DOS

IR

Vibrations