Geometry & MOs

Info

ID:	54067
PubChem CID:	14719920
Reduced:	N3C7H7 (1)
Stoich.:	A3B7C7 (1)
Weight, g/mol:	351.233348
ΔH_f, kcal/mol:	61.08
Dipole, Da:	3.79
IP(EA), eV:	-9.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[[(4S)-4-amino-2,2-difluoro-3-hydroxy-6-methylheptyl]amino]-1-oxopropan-2-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CN2C=CN=CC2=N1

DOS

IR

Vibrations