Geometry & MOs

Info

ID:	158797
PubChem CID:	56475100
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	406.211724
ΔH_f, kcal/mol:	-143.05
Dipole, Da:	3.5
IP(EA), eV:	-8.73(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2(C(=O)N(C(=O)N2)CC(=O)NC(C3=CC=C(C=C3)OC)C(C)C)C

DOS

IR

Vibrations