Geometry & MOs

Info

ID:	274025
PubChem CID:	103806575
Reduced:	FN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	330.01345
ΔH_f, kcal/mol:	-118.38
Dipole, Da:	4.72
IP(EA), eV:	-9.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-N-(2-pyrrolidin-3-ylethyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NCCC2CCNC2)F

DOS

IR

Vibrations