Geometry & MOs

Info

ID:	280121
PubChem CID:	103847036
Reduced:	N2O3C12H20 (1)
Stoich.:	A2B3C12D20 (1)
Weight, g/mol:	333.04767
ΔH_f, kcal/mol:	-104.02
Dipole, Da:	2.94
IP(EA), eV:	-8.81(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromoisoquinolin-1-yl)amino]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

COCCOCCCNC1=CC(=NC=C1)OC

DOS

IR

Vibrations