Geometry & MOs

Info

ID:	136024
PubChem CID:	51968022
Reduced:	ON3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	388.164306
ΔH_f, kcal/mol:	39.09
Dipole, Da:	2.32
IP(EA), eV:	-9.29(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis[(S)-cyclopentyl(thiophen-2-yl)methyl]urea

Drug info:

PubChemData

Smile

C[C@H](C(=O)NNC(=O)[C@@H](C)N1C=NC2=CC=CC=C21)N3C=NC4=CC=CC=C43

DOS

IR

Vibrations