Geometry & MOs

Info

ID:	27598
PubChem CID:	822486
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	325.161269
ΔH_f, kcal/mol:	-84.3
Dipole, Da:	3.58
IP(EA), eV:	-8.82(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(5-tert-butylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=C([C@H]1C2=CC=C(S2)C(C)(C)C)C#N)N)C

DOS

IR

Vibrations