Geometry & MOs

Info

ID:	361322
PubChem CID:	127302517
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	377.224932
ΔH_f, kcal/mol:	-44.47
Dipole, Da:	1.64
IP(EA), eV:	-8.05(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methyl-4-thiomorpholin-4-ylphenyl)urea

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)N4CCCC4)C

DOS

IR

Vibrations