Geometry & MOs

Info

ID:	137528
PubChem CID:	52220757
Reduced:	OS2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	363.252192
ΔH_f, kcal/mol:	39.71
Dipole, Da:	5.02
IP(EA), eV:	-9.14(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(2S)-3-methyl-2-morpholin-4-ylbutyl]-1-[2-(4-methylphenoxy)ethyl]urea

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3S2)SC4=NN=CN4C

DOS

IR

Vibrations