Geometry & MOs

Info

ID:	293818
PubChem CID:	117403111
Reduced:	NC18H29 (1)
Stoich.:	AB18C29 (1)
Weight, g/mol:	259.021163
ΔH_f, kcal/mol:	-26.66
Dipole, Da:	2.12
IP(EA), eV:	-8.92(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1,3-difluoro-2-(1-isocyanatocyclopropyl)-5-methoxybenzene

Drug info:

PubChemData

Smile

CC(CCN)C1=CC=C(C=C1)C2CCC(CC2)(C)C

DOS

IR

Vibrations