Geometry & MOs

Info

ID:	400746
PubChem CID:	135048951
Reduced:	BN2C17H25 (1)
Stoich.:	AB2C17D25 (1)
Weight, g/mol:	299.229469
ΔH_f, kcal/mol:	23.3
Dipole, Da:	7.52
IP(EA), eV:	-6.59(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

[B-](CC1=CC=CC=C1)(C#[N+]CC)[N+]23CCC(CC2)CC3

DOS

IR

Vibrations