Geometry & MOs

Info

ID:	297709
PubChem CID:	117626495
Reduced:	O2N3C26H33 (1)
Stoich.:	A2B3C26D33 (1)
Weight, g/mol:	435.252192
ΔH_f, kcal/mol:	-40.38
Dipole, Da:	2.62
IP(EA), eV:	-8.42(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-3-[2-[[(2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-5-methylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1COCCN1CC2=CC(=CC=C2)C3=CC4=C(C=C3)NC(=C4)CN5CCCC5CO

DOS

IR

Vibrations