Geometry & MOs

Info

ID:	173340
PubChem CID:	75625377
Reduced:	FO2N5H16C20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	373.130553
ΔH_f, kcal/mol:	18.38
Dipole, Da:	3.66
IP(EA), eV:	-9.48(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-chloro-4-oxo-4aH-quinazolin-2-yl)methyl]-1,5-dimethyl-N-propylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2C=CC=CC2=N1)C(=O)C3=C(NN=C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations