Geometry & MOs

Info

ID:	354169
PubChem CID:	127286110
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	385.21139
ΔH_f, kcal/mol:	-77.89
Dipole, Da:	6.74
IP(EA), eV:	-8.72(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)N3CCC(CC3)N4CCCC4=O

DOS

IR

Vibrations