Geometry & MOs

Info

ID:	448841
PubChem CID:	135293979
Reduced:	ON2C6H16 (1)
Stoich.:	AB2C6D16 (1)
Weight, g/mol:	396.184921
ΔH_f, kcal/mol:	-5.67
Dipole, Da:	1.06
IP(EA), eV:	-8.78(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-fluoro-5-[3-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)CN(C)ONC

DOS

IR

Vibrations