Geometry & MOs

Info

ID:	243374
PubChem CID:	99222727
Reduced:	FN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	439.283492
ΔH_f, kcal/mol:	-139.23
Dipole, Da:	4.56
IP(EA), eV:	-9.14(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-amino-2-oxoethyl)-[(1R)-1-(4-propylphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@H](C)N(CC(=O)N)C(=O)COC2=CC=CC=C2F

DOS

IR

Vibrations