Geometry & MOs

Info

ID:	391320
PubChem CID:	135004315
Reduced:	N4O5C21H24 (1)
Stoich.:	A4B5C21D24 (1)
Weight, g/mol:	378.140199
ΔH_f, kcal/mol:	-112.25
Dipole, Da:	3.71
IP(EA), eV:	-9.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N=C=C(C(C(=O)OC)N(C(=O)CC#N)/N=C/C1=CC=CC=C1)C(=O)OC

DOS

IR

Vibrations