Geometry & MOs

Info

ID:	188805
PubChem CID:	77769773
Reduced:	OC3H6 (3)
Stoich.:	AB3C6 (3)
Weight, g/mol:	375.134969
ΔH_f, kcal/mol:	-148.13
Dipole, Da:	2.12
IP(EA), eV:	-9.78(2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[chloro(isoquinolin-7-yl)methyl]-2-oxopyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

COC1(C2CCC1CC2)OC.O

DOS

IR

Vibrations