Geometry & MOs

Info

ID:	351054
PubChem CID:	127279491
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	392.224597
ΔH_f, kcal/mol:	-76.85
Dipole, Da:	3.78
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1(COCCN1CCNC(=O)NC2=CN=C(N=C2)C(C)(C)C)C

DOS

IR

Vibrations