Geometry & MOs

Info

ID:	350240
PubChem CID:	127277318
Reduced:	SO3N5C14H27 (1)
Stoich.:	AB3C5D14E27 (1)
Weight, g/mol:	317.221561
ΔH_f, kcal/mol:	-108.22
Dipole, Da:	6.95
IP(EA), eV:	-8.79(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]methyl]-3-(2-methylcyclopropyl)urea

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N2CCN(CC2)S(=O)(=O)N3CCN(CC3)C

DOS

IR

Vibrations