Geometry & MOs

Info

ID:	361540
PubChem CID:	127303732
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	355.16444
ΔH_f, kcal/mol:	-27.37
Dipole, Da:	5.37
IP(EA), eV:	-10.03(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2CNC(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5

DOS

IR

Vibrations