Geometry & MOs

Info

ID:	358307
PubChem CID:	127295852
Reduced:	O2N3C9H14 (2)
Stoich.:	A2B3C9D14 (2)
Weight, g/mol:	340.211055
ΔH_f, kcal/mol:	-128.95
Dipole, Da:	4.08
IP(EA), eV:	-9.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C2CCCN(C2)C(=O)NCCC(=O)N3CCN(CC3)C(=O)C

DOS

IR

Vibrations