Geometry & MOs

Info

ID:	214309
PubChem CID:	84975036
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	300.129634
ΔH_f, kcal/mol:	-30.93
Dipole, Da:	6.39
IP(EA), eV:	-8.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(dimethylamino)phenyl]methyl]-3-(5-methylthiophen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)NCC3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations