Geometry & MOs

Info

ID:	362271
PubChem CID:	127307290
Reduced:	FON2C10H15 (2)
Stoich.:	ABC2D10E15 (2)
Weight, g/mol:	320.23246
ΔH_f, kcal/mol:	-167.01
Dipole, Da:	1.22
IP(EA), eV:	-8.76(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(dimethylamino)pyridin-3-yl]methyl]-3-[(1,4-dimethylpiperazin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CC(CNC(=O)NC1CCCN(C1)CC2=C(C=CC=C2F)F)N3CCOCC3

DOS

IR

Vibrations