Geometry & MOs

Info

ID:	189887
PubChem CID:	77919979
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-11.4
Dipole, Da:	3.51
IP(EA), eV:	-9.21(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(1-ethyl-3-methylpyrazol-4-yl)-4-phenylimidazol-1-yl]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2CN(CC2NC(=O)C)C(=O)C3=CC4=NC=CN=C4C=C3

DOS

IR

Vibrations