Geometry & MOs

Info

ID:	438756
PubChem CID:	135228510
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	382.225643
ΔH_f, kcal/mol:	-103.77
Dipole, Da:	10.52
IP(EA), eV:	-9.72(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[(3Z)-3-(3-tert-butyl-6-ethanimidoyl-7-methoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)prop-1-en-2-yl]but-2-enoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations