Geometry & MOs

Info

ID:	362269
PubChem CID:	127307282
Reduced:	O2N5C16H25 (1)
Stoich.:	A2B5C16D25 (1)
Weight, g/mol:	313.247775
ΔH_f, kcal/mol:	-39.31
Dipole, Da:	6.36
IP(EA), eV:	-9.27(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-morpholin-4-ylpropyl)urea

Drug info:

PubChemData

Smile

CN(CCN1C=CC=N1)C(=O)NC2CCN(CC2)C(=O)C3CC3

DOS

IR

Vibrations