Geometry & MOs

Info

ID:	442983
PubChem CID:	135257270
Reduced:	SN2H16C24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	103.32
Dipole, Da:	2.72
IP(EA), eV:	-7.76(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3,4,7,8,9,10-hexahydro-1H-1,10-phenanthrolin-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)C4=CC5=C(C=C4)NC6=CC=CC=C6S5

DOS

IR

Vibrations