Geometry & MOs

Info

ID:	132104
PubChem CID:	51306038
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-88.59
Dipole, Da:	2.7
IP(EA), eV:	-8.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCC(=O)NCC2=CN=C(C=C2)OC

DOS

IR

Vibrations