Geometry & MOs

Info

ID:	339769
PubChem CID:	127261778
Reduced:	N3O3C8H8 (2)
Stoich.:	A3B3C8D8 (2)
Weight, g/mol:	311.1674
ΔH_f, kcal/mol:	-134.56
Dipole, Da:	4.45
IP(EA), eV:	-10.18(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-2-benzyl-4-benzylidene-1,3-dihydroisoquinoline

Drug info:

PubChemData

Smile

C1=CN=C(C=C1C(=O)OCCOC(=O)C2=CC(=NC=C2)C(=O)NN)C(=O)NN

DOS

IR

Vibrations