Geometry & MOs

Info

ID:	190061
PubChem CID:	77946062
Reduced:	F2O3N9C19H25 (1)
Stoich.:	A2B3C9D19E25 (1)
Weight, g/mol:	361.153875
ΔH_f, kcal/mol:	-102.74
Dipole, Da:	9.09
IP(EA), eV:	-8.89(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-amino-2-(4-methoxyphenyl)ethyl]-6-(3H-pyrazol-4-yl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN(N1)C(=O)CNCC2=NNN=C2)C3=C(C=C(C=C3F)N4CC(OC4=O)CN)F

DOS

IR

Vibrations