Geometry & MOs

Info

ID:	214005
PubChem CID:	81065719
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	-89.85
Dipole, Da:	8.6
IP(EA), eV:	-8.76(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NCC(C)CC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations