Geometry & MOs

Info

ID:	143039
PubChem CID:	53137167
Reduced:	ClFO3N4H12C16 (1)
Stoich.:	ABC3D4E12F16 (1)
Weight, g/mol:	346.179361
ΔH_f, kcal/mol:	-73.31
Dipole, Da:	4.13
IP(EA), eV:	-9.3(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-N-(4-pyrrolidin-1-ylquinazolin-7-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2=CN(C(=O)C=C2)CC(=O)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations