Geometry & MOs

Info

ID:	289493
PubChem CID:	104358248
Reduced:	BrClON2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	330.01345
ΔH_f, kcal/mol:	-1.84
Dipole, Da:	4.48
IP(EA), eV:	-9.55(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-5-methylpiperidin-1-yl)-(3-bromo-2-chlorophenyl)methanone

Drug info:

PubChemData

Smile

C1C(CN1)NC(=O)C2=C(C(=CC=C2)Br)Cl

DOS

IR

Vibrations