Geometry & MOs

Info

ID:	368736
PubChem CID:	127329971
Reduced:	ON3C9H16 (2)
Stoich.:	AB3C9D16 (2)
Weight, g/mol:	399.149379
ΔH_f, kcal/mol:	-68.26
Dipole, Da:	2.74
IP(EA), eV:	-8.71(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN(CCN1CCOC)C(=O)NC2CCC3=NC(=NN3C2)CC

DOS

IR

Vibrations