Geometry & MOs

Info

ID:	373266
PubChem CID:	131312432
Reduced:	ON2C11H12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	5.05
Dipole, Da:	3.79
IP(EA), eV:	-8.63(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-3,4-dihydro-2H-chromene-6-carbonitrile

Drug info:

PubChemData

Smile

CN1C(CCC2=C1C=CC=C2O)C#N

DOS

IR

Vibrations