Geometry & MOs

Info

ID:	441820
PubChem CID:	135245336
Reduced:	NOH23C33 (1)
Stoich.:	ABC23D33 (1)
Weight, g/mol:	374.178299
ΔH_f, kcal/mol:	100.58
Dipole, Da:	2.62
IP(EA), eV:	-8.64(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(8-azatetracyclo[13.3.1.02,7.09,14]nonadeca-1(18),2(7),3,5,9,11,13,15(19),16-nonaen-5-yl)-3-phenylprop-1-en-1-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=C(O3)C=C(C=C4)C5=CC=C(C=C5)C6=CC7=CC=CC=C7C=C6CN

DOS

IR

Vibrations