Geometry & MOs

Info

ID:	58534
PubChem CID:	24702262
Reduced:	BrNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-149.77
Dipole, Da:	1.85
IP(EA), eV:	-9.28(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-carbamoyl-2-(2-propanoylphenoxy)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)C(=O)N2CCC(CC2)C(=O)O

DOS

IR

Vibrations