Geometry & MOs

Info

ID:	180704
PubChem CID:	76671670
Reduced:	FN2O3C29H29 (1)
Stoich.:	AB2C3D29E29 (1)
Weight, g/mol:	422.293328
ΔH_f, kcal/mol:	-52.37
Dipole, Da:	8.03
IP(EA), eV:	-8.97(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-adamantyl)-4-[3-(4-methyl-2-oxopentyl)pyrrolidin-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1CC(=C(CC(C2=CC=C(C=C2)C3=CC(=C(C=C3)F)C(=O)O)C4=CC=CC=C4C)N=O)CCN1

DOS

IR

Vibrations