Geometry & MOs

Info

ID:	376718
PubChem CID:	134222743
Reduced:	NC16H31 (1)
Stoich.:	AB16C31 (1)
Weight, g/mol:	507.147345
ΔH_f, kcal/mol:	-56.61
Dipole, Da:	1.28
IP(EA), eV:	-8.33(2.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-8-fluoro-4-oxoquinazolin-3-yl]-N-[(3-chloro-4-cyanophenyl)methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)C(C)N1CC2CCCC2C1C(C)(C)C

DOS

IR

Vibrations