Geometry & MOs

Info

ID:	185461
PubChem CID:	77302177
Reduced:	ClNF2O4C26H30 (1)
Stoich.:	ABC2D4E26F30 (1)
Weight, g/mol:	382.148177
ΔH_f, kcal/mol:	-247.77
Dipole, Da:	7.08
IP(EA), eV:	-9.32(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-5-[5-[[(4-hydroxycyclohexyl)amino]methyl]thiophen-2-yl]-6-methyl-3H-pyridin-2-one;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC2CCCN2CC(COC(C)C3=CC(=C(C=C3C=CC(=O)O)F)Cl)O)F

DOS

IR

Vibrations