Geometry & MOs

Info

ID:	26534
PubChem CID:	651382
Reduced:	O2F3N6H21C25 (1)
Stoich.:	A2B3C6D21E25 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	-73.26
Dipole, Da:	3.98
IP(EA), eV:	-8.59(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-2-[6-(2-methoxyphenyl)pyridazin-3-yl]-3,4-dihydro-1H-isoquinoline

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=O)C3=NN4C(=CC(=NC4=C3)C5=CC=CO5)C(F)(F)F)C

DOS

IR

Vibrations