Geometry & MOs

Info

ID:	394500
PubChem CID:	135023115
Reduced:	BrN6C18H27 (1)
Stoich.:	AB6C18D27 (1)
Weight, g/mol:	192.151415
ΔH_f, kcal/mol:	75.42
Dipole, Da:	9.31
IP(EA), eV:	-8.78(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-propan-2-yltricyclo[4.3.1.03,7]decan-2-one

Drug info:

PubChemData

Smile

CN1CCN(C1=NCC2=C(C=C(C=C2)Br)CN=C3N(CCN3C)C)C

DOS

IR

Vibrations