Geometry & MOs

Info

ID:	345667
PubChem CID:	127269967
Reduced:	SO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	197.177964
ΔH_f, kcal/mol:	-80.55
Dipole, Da:	4.53
IP(EA), eV:	-8.85(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-propan-2-ylcycloheptanecarboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CSC(=N2)NC(=O)C3CCCCCC3

DOS

IR

Vibrations