Geometry & MOs

Info

ID:	168007
PubChem CID:	74911095
Reduced:	O2F3N7C25H26 (1)
Stoich.:	A2B3C7D25E26 (1)
Weight, g/mol:	362.13789
ΔH_f, kcal/mol:	-141.02
Dipole, Da:	4.56
IP(EA), eV:	-8.54(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2,4-dioxo-N,3-diphenyl-4a,7a-dihydro-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C3C(CN2)C(=O)NC(N3)N4C(=CC(=N4)C)NC(=O)C5=CC=C(C=C5)C(F)(F)F)C

DOS

IR

Vibrations