Geometry & MOs

Info

ID:	256425
PubChem CID:	103139180
Reduced:	NOC15H15 (1)
Stoich.:	ABC15D15 (1)
Weight, g/mol:	213.126598
ΔH_f, kcal/mol:	-2.9
Dipole, Da:	4.53
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-but-3-en-2-ylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

C1CCC(=O)C(C1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations