Geometry & MOs

Info

ID:	159316
PubChem CID:	57269560
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	466.244087
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	3.27
IP(EA), eV:	-9.34(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(2-methoxyethyl)-4-[3-[4-[(1-methyltetrazol-5-yl)methyl]piperazin-1-yl]anilino]benzoic acid

Drug info:

PubChemData

Smile

C1C[C@H]([C@H]([C@H](C1)O)C2=CC=CC=C2)CO

DOS

IR

Vibrations