Geometry & MOs

Info

ID:	405224
PubChem CID:	135073062
Reduced:	BrClNO3C13H15 (1)
Stoich.:	ABCD3E13F15 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-114.75
Dipole, Da:	4.25
IP(EA), eV:	-9.41(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-(4-acetylphenyl)-N-[(2-methyloxiran-2-yl)methyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C(=O)N(C)C1=CC=CC=C1Cl)Br

DOS

IR

Vibrations