Geometry & MOs

Info

ID:	426629
PubChem CID:	135153038
Reduced:	ClN2H21C22 (1)
Stoich.:	AB2C21D22 (1)
Weight, g/mol:	371.100081
ΔH_f, kcal/mol:	73.05
Dipole, Da:	2.19
IP(EA), eV:	-9.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3,3,4-trimethyl-4H-isoquinolin-1-yl)-7,8-difluorocinnoline

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC=C2Cl)C(=NC1(C)C)C3=CC4=C(C=CC=N4)C=C3)C

DOS

IR

Vibrations