Geometry & MOs

Info

ID:	358159
PubChem CID:	127295704
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	360.26376
ΔH_f, kcal/mol:	-70.34
Dipole, Da:	5.87
IP(EA), eV:	-9.38(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCC2=NN=C3N2CCCCC3

DOS

IR

Vibrations