Geometry & MOs

Info

ID:	173339
PubChem CID:	75625376
Reduced:	NF2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	377.128803
ΔH_f, kcal/mol:	-199.54
Dipole, Da:	4.8
IP(EA), eV:	-9.03(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-N-methyl-N-[(4-oxo-4aH-quinazolin-2-yl)methyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=C(C(=CC=C1)OC)OC)C(=O)C=CC2=CC=CC=C2OC(F)F

DOS

IR

Vibrations