Geometry & MOs

Info

ID:	391262
PubChem CID:	135003967
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	463.11469
ΔH_f, kcal/mol:	-132.49
Dipole, Da:	2.51
IP(EA), eV:	-8.54(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-(4-bromophenyl)-2-(dibenzylamino)but-3-enoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H]2CCCC(=O)N[C@@H]2C3=C(N1)C=CC(=C3)C

DOS

IR

Vibrations