Geometry & MOs

Info

ID:	439188
PubChem CID:	135228953
Reduced:	NSC27H31 (1)
Stoich.:	ABC27D31 (1)
Weight, g/mol:	313.27695
ΔH_f, kcal/mol:	26.45
Dipole, Da:	3.01
IP(EA), eV:	-7.39(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[2-(5-cyclohexyl-4-methylpentan-2-yl)-3-methylphenyl]prop-1-en-1-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)C(C)(C)C)SC4=C2C=CC(=C4)C(C)(C)C

DOS

IR

Vibrations