Geometry & MOs

Info

ID:	323895
PubChem CID:	126676472
Reduced:	F2N4O5H28C30 (1)
Stoich.:	A2B4C5D28E30 (1)
Weight, g/mol:	207.045092
ΔH_f, kcal/mol:	-188.24
Dipole, Da:	5.62
IP(EA), eV:	-9.75(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(chloromethyl)-3-methoxyisoquinoline

Drug info:

PubChemData

Smile

C1CC1(C#N)NC(=O)C2(CCC(CC2)(F)F)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC=C(C=C5)C(=O)N6CC(C6)O

DOS

IR

Vibrations