Geometry & MOs

Info

ID:	371269
PubChem CID:	127344625
Reduced:	ON5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	360.26376
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	7.72
IP(EA), eV:	-9.38(0.66)
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]-4-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1CCCCN1C(=O)NCC2CCC3=NN=C(N3C2)C

DOS

IR

Vibrations