Geometry & MOs

Info

ID:	365889
PubChem CID:	127319147
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-24.73
Dipole, Da:	3.04
IP(EA), eV:	-8.79(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-3-ylmethyl)-3-(5-phenyl-2-propan-2-ylpyrazol-3-yl)urea

Drug info:

PubChemData

Smile

CC(C)N1C(=CC(=N1)C2=CC=CC=C2)NC(=O)NC3CCN(CC3)C(=O)C4CC4

DOS

IR

Vibrations