Geometry & MOs

Info

ID:	36360
PubChem CID:	8002302
Reduced:	OS2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	337.167794
ΔH_f, kcal/mol:	44.2
Dipole, Da:	4.04
IP(EA), eV:	-8.34(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dimethoxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)CSC3=NC4=C(N3C5=CC=CC=C5)CCCC4

DOS

IR

Vibrations