Geometry & MOs

Info

ID:	243340
PubChem CID:	99218721
Reduced:	SN3O3C26H27 (1)
Stoich.:	AB3C3D26E27 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-47.96
Dipole, Da:	3.6
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=C(C=C2)CNC(=O)C3=CC(=CC=C3)NC(=O)CCCC4=CC=CS4

DOS

IR

Vibrations