Geometry & MOs

Info

ID:	235994
PubChem CID:	92711321
Reduced:	O3N4C20H28 (1)
Stoich.:	A3B4C20D28 (1)
Weight, g/mol:	252.195011
ΔH_f, kcal/mol:	-107.43
Dipole, Da:	5.37
IP(EA), eV:	-9.02(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-butan-2-yl]-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)CNC(=O)N[C@H](CC(=O)OCC)C2=CC=CC=C2)C

DOS

IR

Vibrations