Geometry & MOs

Info

ID:	199700
PubChem CID:	79283235
Reduced:	ON4C16H20 (1)
Stoich.:	AB4C16D20 (1)
Weight, g/mol:	324.01095
ΔH_f, kcal/mol:	23.85
Dipole, Da:	4.74
IP(EA), eV:	-8.41(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-2-methylphenyl)carbamoyl-prop-2-ynylamino]acetic acid

Drug info:

PubChemData

Smile

CCCC1=C2C(=NC(C(=O)N2)(C)C3=CC=CC=C3)N(N1)C

DOS

IR

Vibrations