Geometry & MOs

Info

ID:	417949
PubChem CID:	135103162
Reduced:	ClFON2C16H20 (1)
Stoich.:	ABCD2E16F20 (1)
Weight, g/mol:	320.173607
ΔH_f, kcal/mol:	-88.71
Dipole, Da:	4.15
IP(EA), eV:	-8.95(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexanecarbonyl]amino]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC1=C(C=C(C=C1)F)Cl)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations