Geometry & MOs

Info

ID:	368554
PubChem CID:	127329457
Reduced:	ON3C10H12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	11.04
Dipole, Da:	9.97
IP(EA), eV:	-8.99(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]cinnolin-4-one

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCN(CC2)C(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations