Geometry & MOs

Info

ID:	153007
PubChem CID:	56312118
Reduced:	FON2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	358.169271
ΔH_f, kcal/mol:	-62.4
Dipole, Da:	1.91
IP(EA), eV:	-8.59(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(4-fluoro-N-propan-2-ylanilino)acetyl]amino]-4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)F)C(C)C

DOS

IR

Vibrations