Geometry & MOs

Info

ID:	314444
PubChem CID:	126621830
Reduced:	NOH16C26 (2)
Stoich.:	ABC16D26 (2)
Weight, g/mol:	298.006454
ΔH_f, kcal/mol:	174.41
Dipole, Da:	1.36
IP(EA), eV:	-8.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichlorophenanthro[9,10-d]pyrimidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC(=CC=C4)N(C5=CC=CC=C5)C6=CC7=C(C=C6)C8=CC=CC=C8O7)C9=C2C=C1C(=C9)C=CC2=C1OC1=CC=CC=C21

DOS

IR

Vibrations