Geometry & MOs

Info

ID:	343405
PubChem CID:	127266578
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	344.164854
ΔH_f, kcal/mol:	-158.3
Dipole, Da:	1.91
IP(EA), eV:	-8.92(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-N-[2-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)butan-2-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)CCC(=O)NC(C)(C)CC(=O)N

DOS

IR

Vibrations