Geometry & MOs

Info

ID:	154471
PubChem CID:	56313914
Reduced:	FO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	380.190006
ΔH_f, kcal/mol:	-61.42
Dipole, Da:	4.27
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[(E)-3-[[2-(2-fluorophenyl)-2-methylpropyl]amino]-3-oxoprop-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=NN(C(C1)C(=O)N)C2=CC=CC=C2)C3=CC=CC=C3F

DOS

IR

Vibrations