Geometry & MOs

Info

ID:	356859
PubChem CID:	127292451
Reduced:	ON7C16H29 (1)
Stoich.:	AB7C16D29 (1)
Weight, g/mol:	361.259009
ΔH_f, kcal/mol:	-20.59
Dipole, Da:	3.1
IP(EA), eV:	-8.54(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC(C)CN3CCN(CC3)C

DOS

IR

Vibrations