Geometry & MOs

Info

ID:	306955
PubChem CID:	125264426
Reduced:	N3O3C16H23 (1)
Stoich.:	A3B3C16D23 (1)
Weight, g/mol:	298.190595
ΔH_f, kcal/mol:	-115.93
Dipole, Da:	3.45
IP(EA), eV:	-9.13(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)N2C[C@H]3C[C@H](N([C@H]3C2)C)C(=O)NC

DOS

IR

Vibrations