Geometry & MOs

Info

ID:	307040
PubChem CID:	125264733
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	-114.92
Dipole, Da:	2.97
IP(EA), eV:	-9.31(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3aR,7aR)-1-methyl-2-(pyrazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-(3-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)NC(=O)N1CC[C@H]2[C@H]1CC[C@H](O2)COCC3=CN=CC=C3

DOS

IR

Vibrations