Geometry & MOs

Info

ID:	252295
PubChem CID:	103110339
Reduced:	FON3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-36.39
Dipole, Da:	4.56
IP(EA), eV:	-8.66(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]-4-methoxy-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC(=O)C2=C(C=NC=C2)F

DOS

IR

Vibrations