Geometry & MOs

Info

ID:	358467
PubChem CID:	127296063
Reduced:	O2N3C9H16 (2)
Stoich.:	A2B3C9D16 (2)
Weight, g/mol:	326.231791
ΔH_f, kcal/mol:	-190.86
Dipole, Da:	7.7
IP(EA), eV:	-8.95(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CCNC(=O)NCCC(=O)N2CCN(CC2)C

DOS

IR

Vibrations