Geometry & MOs

Info

ID:	150563
PubChem CID:	53790256
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	384.12407
ΔH_f, kcal/mol:	-115.31
Dipole, Da:	4.49
IP(EA), eV:	-7.94(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-tert-butylpyridine-2-carbonyl)-5-chloro-1H-indol-3-yl] propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC2=CC3=C(CCN3CC4=CC=CC=C4)C=C2

DOS

IR

Vibrations