Geometry & MOs

Info

ID:	344018
PubChem CID:	127267194
Reduced:	O3N6C16H20 (1)
Stoich.:	A3B6C16D20 (1)
Weight, g/mol:	344.159689
ΔH_f, kcal/mol:	-51.74
Dipole, Da:	5.69
IP(EA), eV:	-8.44(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1,3-dihydroxypropan-2-yl)-2-methylbenzimidazol-5-yl]-3-(2-methylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C(CO)CO)C=CC(=C2)NC(=O)NC3=NN(C=C3)C

DOS

IR

Vibrations