Geometry & MOs

Info

ID:	245382
PubChem CID:	99444132
Reduced:	N3O5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	389.06266
ΔH_f, kcal/mol:	-197.0
Dipole, Da:	7.91
IP(EA), eV:	-8.87(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)OCCCO2)NC(=O)CN3C(=O)C(NC3=O)(C)C

DOS

IR

Vibrations