Geometry & MOs

Info

ID:	352059
PubChem CID:	127283127
Reduced:	O2N5C17H33 (1)
Stoich.:	A2B5C17D33 (1)
Weight, g/mol:	328.211055
ΔH_f, kcal/mol:	-106.67
Dipole, Da:	5.18
IP(EA), eV:	-8.49(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-hydroxyoxan-4-yl)methyl]-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]urea

Drug info:

PubChemData

Smile

CN1CCC(CC1)CN(C)C(=O)NCCC(=O)N2CCN(CC2)C

DOS

IR

Vibrations