Geometry & MOs

Info

ID:	414300
PubChem CID:	135087256
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	281.142722
ΔH_f, kcal/mol:	-23.55
Dipole, Da:	4.28
IP(EA), eV:	-9.25(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1C=C(C(=N1)C)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations