Geometry & MOs

Info

ID:	137353
PubChem CID:	52195265
Reduced:	O2F3N5C19H20 (1)
Stoich.:	A2B3C5D19E20 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-139.27
Dipole, Da:	4.62
IP(EA), eV:	-8.99(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[[4-(methoxymethyl)phenyl]methylcarbamoylamino]benzamide

Drug info:

PubChemData

Smile

CN(C)[C@H](CNC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N2C=CC=N2)C3=CC=CO3

DOS

IR

Vibrations