Geometry & MOs

Info

ID:	256249
PubChem CID:	103137965
Reduced:	N3C18H23 (1)
Stoich.:	A3B18C23 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	30.8
Dipole, Da:	3.39
IP(EA), eV:	-8.03(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)C2CCCN2C3=C4C=NC=CC4=C(C=C3)N

DOS

IR

Vibrations