Geometry & MOs

Info

ID:	368553
PubChem CID:	127329456
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	7.27
IP(EA), eV:	-9.15(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)N(C)C3CCOC3

DOS

IR

Vibrations