Geometry & MOs

Info

ID:	379298
PubChem CID:	134357431
Reduced:	ClOSN4H19C21 (1)
Stoich.:	ABCD4E19F21 (1)
Weight, g/mol:	225.24565
ΔH_f, kcal/mol:	65.84
Dipole, Da:	4.49
IP(EA), eV:	-7.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-4-butyl-5-ethyl-2,3,3-trimethylazepane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=CC3=C(C=C2)C(=CN3S(=O)C4=CN=CC=C4)NC)Cl

DOS

IR

Vibrations