Geometry & MOs

Info

ID:	426601
PubChem CID:	135151727
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-6.32
Dipole, Da:	3.51
IP(EA), eV:	-8.91(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-3-methyl-2-[[4-[2-(4-nitrophenyl)ethynyl]benzoyl]amino]butanoate

Drug info:

PubChemData

Smile

CCC(=O)NOC1=CC=CC(=C1)C2=CC=CC=C2

DOS

IR

Vibrations