Geometry & MOs

Info

ID:	375588
PubChem CID:	134214035
Reduced:	ClN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	443.102367
ΔH_f, kcal/mol:	-132.61
Dipole, Da:	4.37
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-5-(2-hydroxyethyl)pyridin-2-yl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=CC1)C2=C(C=C(C=N2)CCO)Cl

DOS

IR

Vibrations