Geometry & MOs

Info

ID:	368467
PubChem CID:	127328941
Reduced:	ON5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-8.68
Dipole, Da:	7.0
IP(EA), eV:	-9.36(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCN(CC2)C(=O)NCC3CCC4=NN=C(N4C3)C

DOS

IR

Vibrations