Geometry & MOs

Info

ID:	319873
PubChem CID:	126657439
Reduced:	F3O3N6C21H25 (1)
Stoich.:	A3B3C6D21E25 (1)
Weight, g/mol:	402.215472
ΔH_f, kcal/mol:	-191.56
Dipole, Da:	5.23
IP(EA), eV:	-9.19(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2,4-dihydroxy-3,3-dimethyl-N-[4-[(naphthalen-1-ylmethylamino)methoxy]-3-oxobutyl]butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(F)(F)F)C2=NN(C=N2)/C=C\C(=O)NNC(=O)CN3CCOCC3(C)C

DOS

IR

Vibrations