Geometry & MOs

Info

ID:	368733
PubChem CID:	127329953
Reduced:	ClON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	350.243024
ΔH_f, kcal/mol:	-9.48
Dipole, Da:	2.19
IP(EA), eV:	-9.48(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-(2-methoxyethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)N3CCCCCC3C4=CC=C(C=C4)Cl

DOS

IR

Vibrations