Geometry & MOs

Info

ID:	339685
PubChem CID:	127261687
Reduced:	OSN4C18H36 (1)
Stoich.:	ABC4D18E36 (1)
Weight, g/mol:	193.121512
ΔH_f, kcal/mol:	-70.16
Dipole, Da:	6.16
IP(EA), eV:	-8.64(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(3aR,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-ylidene]amino]urea

Drug info:

PubChemData

Smile

CCCCCCCCCCCCNC(=O)N/N=C/1\N(CCS1)CC

DOS

IR

Vibrations