Geometry & MOs

Info

ID:	362924
PubChem CID:	127309860
Reduced:	O2N6C19H36 (1)
Stoich.:	A2B6C19D36 (1)
Weight, g/mol:	270.205576
ΔH_f, kcal/mol:	-100.28
Dipole, Da:	2.09
IP(EA), eV:	-8.38(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclopropyl-2-hydroxyethyl)-3-[(1,4-dimethylpiperazin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)N2CCN(CC2)CC(=O)N3CCCCC3)C

DOS

IR

Vibrations