Geometry & MOs

Info

ID:	417671
PubChem CID:	135102474
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-92.18
Dipole, Da:	3.28
IP(EA), eV:	-9.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]-2-oxopiperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2OC)C(=O)C3=CC=CC4=C3CCC4=O

DOS

IR

Vibrations