Geometry & MOs

Info

ID:	188016
PubChem CID:	77654135
Reduced:	F3N3O3C20H20 (1)
Stoich.:	A3B3C3D20E20 (1)
Weight, g/mol:	419.269654
ΔH_f, kcal/mol:	-241.91
Dipole, Da:	4.44
IP(EA), eV:	-9.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(1-cyclopropyl-6-fluoro-8-methyl-2,4-dioxo-4a,5,6,7,8,8a-hexahydroquinazolin-7-yl)pyrrolidin-3-yl]methyl-methylamino]butanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2NC(C(C(=O)N2)O)C(=O)NC(C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations