Geometry & MOs

Info

ID:	352088
PubChem CID:	127283156
Reduced:	ClN3O3C20H30 (1)
Stoich.:	AB3C3D20E30 (1)
Weight, g/mol:	348.204907
ΔH_f, kcal/mol:	-144.94
Dipole, Da:	2.84
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzodioxol-5-yl)butan-2-yl]-3-[(1-hydroxycyclohexyl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)NCC(C2=CC=C(C=C2)Cl)N3CCOCC3)O

DOS

IR

Vibrations