Geometry & MOs

Info

ID:	195214
PubChem CID:	78656222
Reduced:	N3O6H17C19 (1)
Stoich.:	A3B6C17D19 (1)
Weight, g/mol:	384.168522
ΔH_f, kcal/mol:	-134.61
Dipole, Da:	6.0
IP(EA), eV:	-9.64(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(azepan-1-yl)-1-oxopropan-2-yl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CC=C

DOS

IR

Vibrations