Geometry & MOs

Info

ID:	361180
PubChem CID:	127302124
Reduced:	SO2N5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	13.27
Dipole, Da:	8.55
IP(EA), eV:	-8.46(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-oxo-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC2=CSC(=N2)NC(=O)C3=NN(C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations