Geometry & MOs

Info

ID:	171475
PubChem CID:	75382210
Reduced:	BrFN2O2C19H20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	415.08954
ΔH_f, kcal/mol:	-82.49
Dipole, Da:	4.91
IP(EA), eV:	-8.62(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(acetamidomethyl)-N-(5-bromo-2-pyrrolidin-1-ylphenyl)benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)NC2=C(C=CC(=C2)Br)N3CCCC3)F

DOS

IR

Vibrations