Geometry & MOs

Info

ID:	27717
PubChem CID:	823265
Reduced:	BrON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	321.184112
ΔH_f, kcal/mol:	21.67
Dipole, Da:	3.75
IP(EA), eV:	-9.31(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(benzylamino)-8-ethyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NC2=CN=CC=C2)C)Br

DOS

IR

Vibrations