Geometry & MOs

Info

ID:	127
PubChem CID:	2160
Reduced:	NC20H23 (1)
Stoich.:	AB20C23 (1)
Weight, g/mol:	277.18305
ΔH_f, kcal/mol:	47.13
Dipole, Da:	2.21
IP(EA), eV:	-8.66(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine

Drug info:

PubChemData

Smile

CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31

DOS

IR

Vibrations