Geometry & MOs

Info

ID:	267252
PubChem CID:	103581531
Reduced:	BrClN2O2C15H20 (1)
Stoich.:	ABC2D2E15F20 (1)
Weight, g/mol:	330.01345
ΔH_f, kcal/mol:	-84.15
Dipole, Da:	4.77
IP(EA), eV:	-9.5(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations