Geometry & MOs

Info

ID:	306949
PubChem CID:	125264403
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	345.162332
ΔH_f, kcal/mol:	16.43
Dipole, Da:	2.0
IP(EA), eV:	-8.5(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CC[C@@H]3[C@@H]2CCC(=O)N3C4=CN(N=C4)C

DOS

IR

Vibrations