Geometry & MOs

Info

ID:	295119
PubChem CID:	117517959
Reduced:	BrNOF3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	351.04701
ΔH_f, kcal/mol:	-188.77
Dipole, Da:	2.26
IP(EA), eV:	-9.26(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-(cyclopropylmethoxy)-5-(1-isocyanatocyclobutyl)-2-methoxybenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)C2(CCCC2)CN)C(F)(F)F

DOS

IR

Vibrations