Geometry & MOs

Info

ID:	367233
PubChem CID:	127324010
Reduced:	ON6C20H32 (1)
Stoich.:	AB6C20D32 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-2.07
Dipole, Da:	4.48
IP(EA), eV:	-8.43(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-1-methylurea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)NC3CCN(C3)C4CC4

DOS

IR

Vibrations