Geometry & MOs

Info

ID:	273965
PubChem CID:	103806127
Reduced:	O2N3C9H15 (1)
Stoich.:	A2B3C9D15 (1)
Weight, g/mol:	301.98215
ΔH_f, kcal/mol:	-91.07
Dipole, Da:	6.47
IP(EA), eV:	-9.81(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-aminopyrrolidin-1-yl)-(2-bromo-5-chlorophenyl)methanone

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)N2CCC(C2)N

DOS

IR

Vibrations