Geometry & MOs

Info

ID:	49493
PubChem CID:	11533115
Reduced:	N2O4C29H40 (1)
Stoich.:	A2B4C29D40 (1)
Weight, g/mol:	480.277678
ΔH_f, kcal/mol:	-170.24
Dipole, Da:	4.38
IP(EA), eV:	-8.77(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl)methyl]-2,2-diphenyl-2-prop-2-enoxyacetamide

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=CC=C1N2CCCCC2)NC(=O)CC3=CC=C(C=C3)OC(C(C)C)C(=O)O

DOS

IR

Vibrations