Geometry & MOs

Info

ID:	358556
PubChem CID:	127296152
Reduced:	OSN4C15H26 (1)
Stoich.:	ABC4D15E26 (1)
Weight, g/mol:	339.252192
ΔH_f, kcal/mol:	-42.73
Dipole, Da:	4.72
IP(EA), eV:	-8.66(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-3-ylmethyl)-3-[(4-pyrrolidin-1-yloxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CNC(=O)NCCC2CCN(CC2)C

DOS

IR

Vibrations