Geometry & MOs

Info

ID:	358427
PubChem CID:	127295972
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-77.43
Dipole, Da:	5.4
IP(EA), eV:	-8.4(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]-1-(oxan-3-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NC3=CN=C(C=C3)OC4CCCC4

DOS

IR

Vibrations