Geometry & MOs

Info

ID:	69012
PubChem CID:	46515542
Reduced:	BrN2O4C18H19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	424.166604
ΔH_f, kcal/mol:	-109.69
Dipole, Da:	3.7
IP(EA), eV:	-8.56(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one

Drug info:

PubChemData

Smile

COCCN1C(NC2=CC=CC=C2C1=O)C3=C(C(=CC(=C3)Br)OC)O

DOS

IR

Vibrations