Geometry & MOs

Info

ID:	193033
PubChem CID:	78337569
Reduced:	O2F3N4C19H25 (1)
Stoich.:	A2B3C4D19E25 (1)
Weight, g/mol:	463.146739
ΔH_f, kcal/mol:	-244.03
Dipole, Da:	4.46
IP(EA), eV:	-9.74(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-nitrophenyl)-4-oxo-2-[4-(trifluoromethyl)phenyl]-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)N1CCC2C(C1)C(=O)NC(N2)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations