Geometry & MOs

Info

ID:	256119
PubChem CID:	103137187
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	229.157898
ΔH_f, kcal/mol:	-9.64
Dipole, Da:	3.21
IP(EA), eV:	-9.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-butan-2-yl-8-N-methylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCNC(C1CCCCO1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations