Geometry & MOs

Info

ID:	39150
PubChem CID:	8139800
Reduced:	SN2O3C24H24 (1)
Stoich.:	AB2C3D24E24 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-56.87
Dipole, Da:	2.56
IP(EA), eV:	-8.85(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)C1=C2CCC/C(=C/C3=CC=CS3)/C2=NC4=CC=CC=C41

DOS

IR

Vibrations