Geometry & MOs

Info

ID:	71101
PubChem CID:	48414288
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	-38.85
Dipole, Da:	6.86
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations