Geometry & MOs

Info

ID:	199642
PubChem CID:	79275718
Reduced:	Cl2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	242.163043
ΔH_f, kcal/mol:	41.2
Dipole, Da:	1.92
IP(EA), eV:	-9.14(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[methyl(2-methylbutyl)carbamoyl]-prop-2-enylamino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NC3=C(C=CN=C32)C)CCCl)Cl

DOS

IR

Vibrations