Geometry & MOs

Info

ID:	156869
PubChem CID:	56394805
Reduced:	ClO2N5C21H28 (1)
Stoich.:	AB2C5D21E28 (1)
Weight, g/mol:	495.07245
ΔH_f, kcal/mol:	-59.2
Dipole, Da:	6.04
IP(EA), eV:	-8.89(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methylamino]-3-oxopropyl]-5-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCC(C2)CNC(=O)CN3C(=O)N4CCCCCC4=N3

DOS

IR

Vibrations