Geometry & MOs

Info

ID:	375334
PubChem CID:	131499998
Reduced:	BrNC10H12 (1)
Stoich.:	ABC10D12 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	6.86
Dipole, Da:	3.03
IP(EA), eV:	-8.41(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxolane-3-carbonyl)benzonitrile

Drug info:

PubChemData

Smile

CC1CC2=C(C=CC(=C2N1)C)Br

DOS

IR

Vibrations