Geometry & MOs

Info

ID:	256130
PubChem CID:	103137250
Reduced:	N3H15C16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	76.38
Dipole, Da:	3.0
IP(EA), eV:	-9.36(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[1-(oxolan-2-yl)ethyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(C2=CC=CC3=C2C=NC=C3)N

DOS

IR

Vibrations