Geometry & MOs

Info

ID:	206991
PubChem CID:	80329254
Reduced:	SN3C17H27 (1)
Stoich.:	AB3C17D27 (1)
Weight, g/mol:	289.27695
ΔH_f, kcal/mol:	26.4
Dipole, Da:	0.71
IP(EA), eV:	-8.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]heptan-1-amine

Drug info:

PubChemData

Smile

CC1=CSC(=N1)CN2CC(NCC23CCCCC3)C4CC4

DOS

IR

Vibrations