Geometry & MOs

Info

ID:	45830
PubChem CID:	10517974
Reduced:	NH17C22 (1)
Stoich.:	AB17C22 (1)
Weight, g/mol:	296.137222
ΔH_f, kcal/mol:	103.36
Dipole, Da:	1.59
IP(EA), eV:	-8.82(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-3-(4-nitrophenyl)-2-[(propan-2-ylamino)methyl]propanoate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN=CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations