Geometry & MOs

Info

ID:	256079
PubChem CID:	103136894
Reduced:	N3C17H17 (1)
Stoich.:	A3B17C17 (1)
Weight, g/mol:	272.163711
ΔH_f, kcal/mol:	78.26
Dipole, Da:	2.42
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2-morpholin-4-ylethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CNC(CC1=CC=NC=C1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations