Geometry & MOs

Info

ID:	348336
PubChem CID:	127273401
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-39.9
Dipole, Da:	2.27
IP(EA), eV:	-9.17(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,1-N-diethyl-4-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC=C(C=C2)C(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations