Geometry & MOs

Info

ID:	355980
PubChem CID:	127290970
Reduced:	ON2C6H10 (2)
Stoich.:	AB2C6D10 (2)
Weight, g/mol:	365.187005
ΔH_f, kcal/mol:	-56.1
Dipole, Da:	6.2
IP(EA), eV:	-8.92(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(2-chlorophenyl)oxan-4-yl]methyl]-3-[(1-methylpyrrolidin-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CN1CCCC1CNC(=O)N2CCOC(C2)C#N

DOS

IR

Vibrations