Geometry & MOs

Info

ID:	370041
PubChem CID:	127337259
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	381.252861
ΔH_f, kcal/mol:	-24.86
Dipole, Da:	8.44
IP(EA), eV:	-8.98(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[1-(4-propan-2-ylphenyl)ethyl]-1-(1-pyridazin-3-ylpiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C)NC(=O)N2CCCC(C2)N3C=CN=C3CC

DOS

IR

Vibrations