Geometry & MOs

Info

ID:	365418
PubChem CID:	127317817
Reduced:	OSN4C20H34 (1)
Stoich.:	ABC4D20E34 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	4.95
IP(EA), eV:	-8.75(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethylcyclohexyl)-3-[[2-(oxan-4-yloxy)pyridin-4-yl]methyl]urea

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)NC3CC(NC(C3)(C)C)(C)C

DOS

IR

Vibrations