Geometry & MOs

Info

ID:	439062
PubChem CID:	135228825
Reduced:	N4O5C24H30 (1)
Stoich.:	A4B5C24D30 (1)
Weight, g/mol:	432.241293
ΔH_f, kcal/mol:	-158.78
Dipole, Da:	12.14
IP(EA), eV:	-9.43(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,1Z)-1-[3-tert-butyl-7-methoxy-6-(6-methylpyridin-3-yl)-3,4-dihydro-2H-isoquinolin-1-ylidene]-3-(1-hydroxyethenyl)pent-3-en-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)C(=NC=NCCCO)N

DOS

IR

Vibrations