Geometry & MOs

Info

ID:	358105
PubChem CID:	127295650
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	390.19032
ΔH_f, kcal/mol:	-71.45
Dipole, Da:	3.4
IP(EA), eV:	-9.11(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3)C

DOS

IR

Vibrations