Geometry & MOs

Info

ID:	256270
PubChem CID:	103138108
Reduced:	N4C17H18 (1)
Stoich.:	A4B17C18 (1)
Weight, g/mol:	202.121846
ΔH_f, kcal/mol:	84.73
Dipole, Da:	3.33
IP(EA), eV:	-9.1(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2-aminoethyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CCNC(C1=CC=CC2=C1C=NC=C2)C3=NC=C(N=C3)C

DOS

IR

Vibrations