Geometry & MOs

Info

ID:	345696
PubChem CID:	127269996
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	241.150036
ΔH_f, kcal/mol:	23.03
Dipole, Da:	6.99
IP(EA), eV:	-9.05(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(thian-4-yl)cycloheptanecarboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCN(CC2)C3=C(C=NC4=CC=CC=C43)C#N

DOS

IR

Vibrations