Geometry & MOs

Info

ID:	126756
PubChem CID:	50976889
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	348.133474
ΔH_f, kcal/mol:	-117.46
Dipole, Da:	4.8
IP(EA), eV:	-8.93(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methylpyrrol-2-yl)-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1CCCN(C1)CC2=C(C=CC=N2)C(=O)O

DOS

IR

Vibrations