Geometry & MOs

Info

ID:	39840
PubChem CID:	8142549
Reduced:	NO2C23H23 (1)
Stoich.:	AB2C23D23 (1)
Weight, g/mol:	360.300145
ΔH_f, kcal/mol:	-28.87
Dipole, Da:	2.33
IP(EA), eV:	-8.62(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	4

Chem-info

IUPAC name:

(Z)-1-methyl-N-[(Z)-(1-methyl-3,6-diazoniatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3,6-diazoniatricyclo[4.3.1.13,8]undecan-9-imine

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=CC=C(C=C1)C)OC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations