Geometry & MOs

Info

ID:	125413
PubChem CID:	50923308
Reduced:	O2N9C24H25 (1)
Stoich.:	A2B9C24D25 (1)
Weight, g/mol:	245.066363
ΔH_f, kcal/mol:	56.11
Dipole, Da:	4.11
IP(EA), eV:	-8.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(furan-2-yl)-3-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC1CC(=O)NN=C1C2=CC3=C(C=C2)N=C(N3)C4=C(N=CC(=C4)C5=CN(N=C5)CC(=O)N(C)C)N

DOS

IR

Vibrations