Geometry & MOs

Info

ID:	358385
PubChem CID:	127295930
Reduced:	OSN5C15H25 (1)
Stoich.:	ABC5D15E25 (1)
Weight, g/mol:	331.189592
ΔH_f, kcal/mol:	-21.55
Dipole, Da:	7.92
IP(EA), eV:	-9.15(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-3-ylmethyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea

Drug info:

PubChemData

Smile

CCCC1=NN=C(S1)NC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations