Geometry & MOs

Info

ID:	345658
PubChem CID:	127269958
Reduced:	O2N3C22H33 (1)
Stoich.:	A2B3C22D33 (1)
Weight, g/mol:	273.139865
ΔH_f, kcal/mol:	-96.36
Dipole, Da:	5.92
IP(EA), eV:	-8.69(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-methylcycloheptanecarboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3CCCCCC3

DOS

IR

Vibrations