Geometry & MOs

Info

ID:	155196
PubChem CID:	56322622
Reduced:	ClO3N4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-89.19
Dipole, Da:	7.86
IP(EA), eV:	-8.86(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1CCCN(CC1)C(=O)C2=CC(=C(C=C2OC)N3C=CC=C3)Cl

DOS

IR

Vibrations