Geometry & MOs

Info

ID:	137856
PubChem CID:	52273259
Reduced:	F2N2O2C13H18 (1)
Stoich.:	A2B2C2D13E18 (1)
Weight, g/mol:	414.150347
ΔH_f, kcal/mol:	-196.24
Dipole, Da:	7.43
IP(EA), eV:	-9.03(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)NC(=O)NC1=CC(=CC=C1)OC(F)F

DOS

IR

Vibrations