Geometry & MOs

Info

ID:	156870
PubChem CID:	56394809
Reduced:	BrClFO2N3C22H24 (1)
Stoich.:	ABCD2E3F22G24 (1)
Weight, g/mol:	473.208134
ΔH_f, kcal/mol:	-117.84
Dipole, Da:	4.75
IP(EA), eV:	-9.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCC(C2)CNC(=O)CCNC(=O)C3=C(C=CC(=C3)F)Br

DOS

IR

Vibrations