Geometry & MOs

Info

ID:	309493
PubChem CID:	126546591
Reduced:	IH21C27 (1)
Stoich.:	AB21C27 (1)
Weight, g/mol:	430.355929
ΔH_f, kcal/mol:	98.68
Dipole, Da:	2.64
IP(EA), eV:	-8.75(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,3-dimethyl-N-[3-[methyl-(3-methylbicyclo[3.3.1]nonane-1-carbonyl)amino]propyl]bicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C(C=CC=C31)C4=CC=C(C=C4)C5=CC=C(C=C5)I)C

DOS

IR

Vibrations