Geometry & MOs

Info

ID:	297710
PubChem CID:	117626546
Reduced:	N3O3C26H33 (1)
Stoich.:	A3B3C26D33 (1)
Weight, g/mol:	458.192961
ΔH_f, kcal/mol:	-115.0
Dipole, Da:	6.52
IP(EA), eV:	-8.63(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-indol-5-yl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)NC(C)(C)C)C2=CC3=C(C=C2)NC(=C3)CN4CC(C[C@@H]4CO)O

DOS

IR

Vibrations