Geometry & MOs

Info

ID:	50901
PubChem CID:	12013492
Reduced:	BrNOC7H10 (1)
Stoich.:	ABCD7E10 (1)
Weight, g/mol:	202.99458
ΔH_f, kcal/mol:	-13.4
Dipole, Da:	5.69
IP(EA), eV:	-10.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-3-methoxycyclobutane-1-carbonitrile

Drug info:

PubChemData

Smile

COCC1(CC(C1)C#N)Br

DOS

IR

Vibrations