Geometry & MOs

Info

ID:	418578
PubChem CID:	135105905
Reduced:	FNO2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	303.183444
ΔH_f, kcal/mol:	-136.65
Dipole, Da:	5.46
IP(EA), eV:	-9.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-(1-benzylcyclopropyl)-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations