Geometry & MOs

Info

ID:	165368
PubChem CID:	74541011
Reduced:	N2O3H18C24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	421.130553
ΔH_f, kcal/mol:	-9.25
Dipole, Da:	4.85
IP(EA), eV:	-8.77(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1C(CC(=O)C2C1=NC3=CC=CC=C3N4C2C5=CC=CC=C5C4=O)C6=CC=CO6

DOS

IR

Vibrations