Geometry & MOs

Info

ID:	171427
PubChem CID:	75376043
Reduced:	ON7C12H17 (1)
Stoich.:	AB7C12D17 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	65.8
Dipole, Da:	8.32
IP(EA), eV:	-9.8(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)N1CC(CC1=O)NC2=NN3C(=NN=N3)C=C2

DOS

IR

Vibrations