Geometry & MOs

Info

ID:	39363
PubChem CID:	8140491
Reduced:	N2O2C21H27 (1)
Stoich.:	A2B2C21D27 (1)
Weight, g/mol:	338.199428
ΔH_f, kcal/mol:	-12.13
Dipole, Da:	0.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.993208
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-ethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C=C/C(=O)NCC2=CC=CC=C2C[NH+](C)C

DOS

IR

Vibrations