Geometry & MOs

Info

ID:	190063
PubChem CID:	77946642
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	375.133139
ΔH_f, kcal/mol:	20.6
Dipole, Da:	2.58
IP(EA), eV:	-9.17(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-4-oxo-6-(3H-pyrazol-4-yl)-1H-quinazoline-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2NC3CCC(CC3C(=O)N2)C4=C5C=CNC5=NC=N4

DOS

IR

Vibrations