Geometry & MOs

Info

ID:	287630
PubChem CID:	104249299
Reduced:	ClOSN2C12H15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-28.72
Dipole, Da:	1.48
IP(EA), eV:	-9.11(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cycloheptyl-3-methoxybutan-1-one

Drug info:

PubChemData

Smile

C1CCOC(C1)CC2=NC3=C(CSC3)C(=N2)Cl

DOS

IR

Vibrations