Geometry & MOs

Info

ID:	212058
PubChem CID:	81059353
Reduced:	FO2N3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	-125.95
Dipole, Da:	5.53
IP(EA), eV:	-8.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-(2-ethoxyethyl)-5-N-methylisoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC(C)OCCN(C)CC(=O)NC1=C(C=C(C=C1)F)N

DOS

IR

Vibrations