Geometry & MOs

Info

ID:	223491
PubChem CID:	85335118
Reduced:	N6C23H30 (1)
Stoich.:	A6B23C30 (1)
Weight, g/mol:	387.240959
ΔH_f, kcal/mol:	86.71
Dipole, Da:	4.84
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7-[2-(4-hydroxy-4-phenylbut-1-enyl)-5-oxopyrrolidin-1-yl]heptanoate

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)C=CC=N2)N(CCCC3CCNN3)CC4=NC5=CC=CC=C5N4

DOS

IR

Vibrations