Geometry & MOs

Info

ID:	148936
PubChem CID:	53788606
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	411.042899
ΔH_f, kcal/mol:	-49.66
Dipole, Da:	6.53
IP(EA), eV:	-8.41(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dichlorophenyl) 4-(3-phenylprop-2-enoylamino)benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2CCN(CC2)C(=O)C3=CN=NC4=CC=CC=C43)OC5CCCC5

DOS

IR

Vibrations