Geometry & MOs

Info

ID:	204846
PubChem CID:	80017672
Reduced:	NSC11H23 (1)
Stoich.:	ABC11D23 (1)
Weight, g/mol:	293.217721
ΔH_f, kcal/mol:	-34.43
Dipole, Da:	2.6
IP(EA), eV:	-8.58(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(N-ethyl-2-methylanilino)methyl]-2-propylpentane-1-thiol

Drug info:

PubChemData

Smile

CC1CCCN1CCC(C)CCS

DOS

IR

Vibrations