Geometry & MOs

Info

ID:	234025
PubChem CID:	92297561
Reduced:	O3N8C29H34 (1)
Stoich.:	A3B8C29D34 (1)
Weight, g/mol:	236.131349
ΔH_f, kcal/mol:	57.77
Dipole, Da:	12.61
IP(EA), eV:	-9.0(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1,4-dimethyl-3-phenyl-4H-cinnoline

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C=C(C(=O)N2)[C@H](C3=NN=NN3C4CCCCC4)N5CCN(CC5)C6=CC=C(C=C6)[N+](=O)[O-])C

DOS

IR

Vibrations