Geometry & MOs

Info

ID:	191894
PubChem CID:	78198562
Reduced:	O3N4C11H14 (1)
Stoich.:	A3B4C11D14 (1)
Weight, g/mol:	281.138894
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	5.01
IP(EA), eV:	-9.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1,3,4,7,8,9,10-heptazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),12,14-triene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC2C(NNN2)C(=O)O

DOS

IR

Vibrations