Geometry & MOs

Info

ID:	421582
PubChem CID:	135116261
Reduced:	FSN4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	351.204573
ΔH_f, kcal/mol:	22.0
Dipole, Da:	3.18
IP(EA), eV:	-8.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC(=NC=C1F)NCC2=CC(=CC=C2)SC

DOS

IR

Vibrations