Geometry & MOs

Info

ID:	366951
PubChem CID:	127321937
Reduced:	OSN2C15H20 (1)
Stoich.:	ABC2D15E20 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-21.42
Dipole, Da:	2.91
IP(EA), eV:	-9.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-azaspiro[5.5]undec-9-ene-2-carbonyl)phenyl]-3-cyclopropylurea

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(=O)N2CCCC3(C2)CCC=CC3

DOS

IR

Vibrations