Geometry & MOs

Info

ID:	389601
PubChem CID:	134993968
Reduced:	BrClPC9H19 (1)
Stoich.:	ABCD9E19 (1)
Weight, g/mol:	126.115698
ΔH_f, kcal/mol:	-82.09
Dipole, Da:	5.61
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-bicyclo[2.2.1]heptane-2,3-diamine

Drug info:

PubChemData

Smile

CC1C(P(C1(C)C)(C)(Cl)Br)(C)C

DOS

IR

Vibrations