Geometry & MOs

Info

ID:	256461
PubChem CID:	103139352
Reduced:	N3C17H23 (1)
Stoich.:	A3B17C23 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	23.92
Dipole, Da:	3.27
IP(EA), eV:	-8.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-(2-ethoxy-2-methylpropyl)isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CC(C(N(C1)C2=C3C=NC=CC3=C(C=C2)N)C)C

DOS

IR

Vibrations