Geometry & MOs

Info

ID:	256015
PubChem CID:	103136346
Reduced:	ON2C17H30 (1)
Stoich.:	AB2C17D30 (1)
Weight, g/mol:	284.112505
ΔH_f, kcal/mol:	-61.99
Dipole, Da:	1.37
IP(EA), eV:	-8.52(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluorophenyl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CCCC(C1=CN(C=C1)CC2CCC(O2)C)NCCC

DOS

IR

Vibrations