Geometry & MOs

Info

ID:	357744
PubChem CID:	127294418
Reduced:	ON5C20H33 (1)
Stoich.:	AB5C20D33 (1)
Weight, g/mol:	373.284161
ΔH_f, kcal/mol:	-43.51
Dipole, Da:	2.86
IP(EA), eV:	-8.72(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(1-propylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CCCN1CCC(CC1)NC(=O)NC2CCN(CC2)CC3=CC=CC=N3

DOS

IR

Vibrations