Geometry & MOs

Info

ID:	188010
PubChem CID:	77653722
Reduced:	OSN6C21H28 (1)
Stoich.:	ABC6D21E28 (1)
Weight, g/mol:	371.175753
ΔH_f, kcal/mol:	28.87
Dipole, Da:	3.26
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-[1-(3-cyclopropyl-6-fluoro-8-methyl-2,4-dioxo-6H-quinazolin-7-yl)pyrrolidin-3-yl]propanenitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1C(=O)NC2C3CN(CC3NN2)C4=NC(=NC=C4)SC

DOS

IR

Vibrations