Geometry & MOs

Info

ID:	358466
PubChem CID:	127296062
Reduced:	O2N5C18H33 (1)
Stoich.:	A2B5C18D33 (1)
Weight, g/mol:	396.248504
ΔH_f, kcal/mol:	-105.29
Dipole, Da:	5.73
IP(EA), eV:	-8.62(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CCNC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations