Geometry & MOs

Info

ID:	435962
PubChem CID:	135193039
Reduced:	O2P2N3H45C56 (1)
Stoich.:	A2B2C3D45E56 (1)
Weight, g/mol:	173.120449
ΔH_f, kcal/mol:	94.64
Dipole, Da:	8.99
IP(EA), eV:	-8.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z,5Z)-2,7,9,10-tetrahydro-1H-1-benzazonine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC(=CC=C4)P(=O)(C5=CC=CC=C5)C6=CC=CC=C6CC7=CC=CC=C7P(=O)(C8=CC=CC=C8)C9=CC=CC(=C9)C1=NC=CC=N1)C

DOS

IR

Vibrations