Geometry & MOs

Info

ID:	265433
PubChem CID:	103520289
Reduced:	ClINOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	311.05209
ΔH_f, kcal/mol:	-39.97
Dipole, Da:	3.57
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-3,5-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide

Drug info:

PubChemData

Smile

CCC(C)CC(=O)NC1=C(C=C(C=C1)I)Cl

DOS

IR

Vibrations