Geometry & MOs

Info

ID:	145503
PubChem CID:	53536500
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	366.124739
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	3.8
IP(EA), eV:	-8.32(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-8-methyl-2,3-dihydro-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=CC(=C2)NC(=O)C3=CC(=O)NC4=CC=CC=C43

DOS

IR

Vibrations