Geometry & MOs

Info

ID:	396417
PubChem CID:	135028377
Reduced:	NOH17C20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	211.151817
ΔH_f, kcal/mol:	32.62
Dipole, Da:	4.39
IP(EA), eV:	-9.05(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCC(=CC1)C(=O)C2=CC=CC3=C2C4=C(C=CC=N4)C=C3

DOS

IR

Vibrations