Geometry & MOs

Info

ID:	419434
PubChem CID:	135108180
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	371.163377
ΔH_f, kcal/mol:	-30.0
Dipole, Da:	3.16
IP(EA), eV:	-8.47(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-benzo[e]indol-2-yl-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=NC=C1)N2CCC3(CC2)C4=C(CCO3)C=CS4

DOS

IR

Vibrations