Geometry & MOs

Info

ID:	276650
PubChem CID:	103824590
Reduced:	BrClNO2H9C12 (1)
Stoich.:	ABCD2E9F12 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	6.26
IP(EA), eV:	-9.07(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)NC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations