Geometry & MOs

Info

ID:	352057
PubChem CID:	127283125
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	377.24269
ΔH_f, kcal/mol:	-88.16
Dipole, Da:	3.1
IP(EA), eV:	-8.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)NCC3(CCCCC3)O

DOS

IR

Vibrations