Geometry & MOs

Info

ID:	415479
PubChem CID:	135088474
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-100.46
Dipole, Da:	6.13
IP(EA), eV:	-9.1(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-indol-1-ylethanone

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=C(N=C(C=C3)C)C)O

DOS

IR

Vibrations