Geometry & MOs

Info

ID:	294537
PubChem CID:	117467997
Reduced:	ClO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	289.123342
ΔH_f, kcal/mol:	-21.36
Dipole, Da:	11.97
IP(EA), eV:	-8.91(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1-cyclohexyl-4-(1-isocyanatocyclobutyl)benzene

Drug info:

PubChemData

Smile

CC1=CC2=C(N1)C=CC(=C2Cl)C3=CC(=NN3C)C(=O)O

DOS

IR

Vibrations