Geometry & MOs

Info

ID:	217913
PubChem CID:	85088572
Reduced:	SN5O7C15H17 (1)
Stoich.:	AB5C7D15E17 (1)
Weight, g/mol:	411.158292
ΔH_f, kcal/mol:	-158.44
Dipole, Da:	1.78
IP(EA), eV:	-9.47(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-N-[(4-methoxyphenyl)methylideneamino]-4-phenylisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

COCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=COC(=N3)N)SC1)C(=O)O

DOS

IR

Vibrations