Geometry & MOs

Info

ID:	306923
PubChem CID:	125264345
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	325.19026
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	6.14
IP(EA), eV:	-9.2(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aS,7aS)-1-methyl-2-(pyrazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N2CC[C@H]3[C@H]2CCC(=O)N3C4=CN=CC=C4

DOS

IR

Vibrations