Geometry & MOs

Info

ID:	71032
PubChem CID:	48414201
Reduced:	O2F3N4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-197.73
Dipole, Da:	8.32
IP(EA), eV:	-9.74(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3a-methyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazolin-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations