Geometry & MOs

Info

ID:	345652
PubChem CID:	127269952
Reduced:	N3O3C23H25 (1)
Stoich.:	A3B3C23D25 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	5.95
IP(EA), eV:	-9.3(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cycloheptanecarboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC(=O)CCC4=NN=C(O4)C5=CC6=CC=CC=C6O5

DOS

IR

Vibrations