Geometry & MOs

Info

ID:	355943
PubChem CID:	127290795
Reduced:	O3N5C21H27 (1)
Stoich.:	A3B5C21D27 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-58.17
Dipole, Da:	2.67
IP(EA), eV:	-8.21(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OC5(O4)CCCC5

DOS

IR

Vibrations