Geometry & MOs

Info

ID:	38526
PubChem CID:	8136990
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	312.043233
ΔH_f, kcal/mol:	-166.28
Dipole, Da:	3.05
IP(EA), eV:	-9.23(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-3-(3,4-dichlorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCC(=O)O[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3

DOS

IR

Vibrations