Geometry & MOs

Info

ID:	156662
PubChem CID:	56371592
Reduced:	BrFO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	457.13649
ΔH_f, kcal/mol:	-108.19
Dipole, Da:	4.13
IP(EA), eV:	-7.99(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(2-bromophenyl)propanoylamino]-N-(3-pyrrolidin-1-ylphenyl)butanamide

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)CC3=CC(=C(C=C3)F)Br

DOS

IR

Vibrations