Geometry & MOs

Info

ID:	370073
PubChem CID:	127337336
Reduced:	ON8C19H30 (1)
Stoich.:	AB8C19D30 (1)
Weight, g/mol:	385.208945
ΔH_f, kcal/mol:	32.51
Dipole, Da:	6.97
IP(EA), eV:	-8.95(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

CC(C)CN1CCC(CC1)NC(=O)N2CCN(CC2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations