Geometry & MOs

Info

ID:	256300
PubChem CID:	103138296
Reduced:	ClNOC18H28 (1)
Stoich.:	ABCD18E28 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	2.75
IP(EA), eV:	-8.97(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(oxan-4-ylmethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCCNCC(CC1CCC(O1)C)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations