Geometry & MOs

Info

ID:	256906
PubChem CID:	103142309
Reduced:	N3C16H27 (1)
Stoich.:	A3B16C27 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	7.79
Dipole, Da:	3.24
IP(EA), eV:	-8.44(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-(5-nitroisoquinolin-8-yl)pyrrolidin-2-yl]methanamine

Drug info:

PubChemData

Smile

CCCN(CCN(C)C)C1=CC=CC2=C1CNCC2

DOS

IR

Vibrations