Geometry & MOs

Info

ID:	377040
PubChem CID:	134223075
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	416.41305
ΔH_f, kcal/mol:	-53.99
Dipole, Da:	3.27
IP(EA), eV:	-9.24(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methyl-4-(2-methylpiperidin-3-yl)cyclopentyl]-N-[2-[4-methyl-2-[(Z)-prop-1-enyl]cyclopentyl]propyl]butan-2-amine

Drug info:

PubChemData

Smile

CNCC1=CC2=C(C=C1)C(=O)N(C2)C(CCC(=O)NC)C=C

DOS

IR

Vibrations