Geometry & MOs

Info

ID:	368473
PubChem CID:	127329043
Reduced:	O2N7C19H29 (1)
Stoich.:	A2B7C19D29 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	-32.82
Dipole, Da:	7.07
IP(EA), eV:	-9.03(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NCC3CCC4=NN=C(N4C3)C)C

DOS

IR

Vibrations