Geometry & MOs

Info

ID:	439118
PubChem CID:	135228882
Reduced:	ON2C21H30 (1)
Stoich.:	AB2C21D30 (1)
Weight, g/mol:	270.209599
ΔH_f, kcal/mol:	7.06
Dipole, Da:	1.76
IP(EA), eV:	-8.94(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-1-[2-(1-methylpyrrolidin-3-yl)ethyl]-1H-isoquinoline

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=CC=CC=C1C(C)C/C(=N/O)/C2CCCCC2

DOS

IR

Vibrations