Geometry & MOs

Info

ID:	256243
PubChem CID:	103137921
Reduced:	ON4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-3.26
Dipole, Da:	5.98
IP(EA), eV:	-9.1(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(oxan-3-ylmethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(N=N2)CNC

DOS

IR

Vibrations