Geometry & MOs

Info

ID:	422769
PubChem CID:	135118377
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	377.210327
ΔH_f, kcal/mol:	-152.0
Dipole, Da:	11.13
IP(EA), eV:	-9.83(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-2-(2,4,7-trimethyl-1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)C2=CC(=O)N=CN2)C(=O)O

DOS

IR

Vibrations