Geometry & MOs

Info

ID:	264450
PubChem CID:	103462665
Reduced:	ClN4C12H17 (1)
Stoich.:	AB4C12D17 (1)
Weight, g/mol:	185.141579
ΔH_f, kcal/mol:	41.3
Dipole, Da:	1.79
IP(EA), eV:	-8.72(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-dimethylbutylamino)methyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)CNC1=NN2C=C(C=CC2=N1)Cl

DOS

IR

Vibrations