Geometry & MOs

Info

ID:	362289
PubChem CID:	127307311
Reduced:	N3O3C22H35 (1)
Stoich.:	A3B3C22D35 (1)
Weight, g/mol:	361.247775
ΔH_f, kcal/mol:	-139.64
Dipole, Da:	4.18
IP(EA), eV:	-8.78(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CN(CC(O1)C)C(=O)NCC2=CC=C(C=C2)CN3CC(OC(C3)C)C

DOS

IR

Vibrations