Geometry & MOs

Info

ID:	382216
PubChem CID:	134973215
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	354.300819
ΔH_f, kcal/mol:	13.95
Dipole, Da:	4.32
IP(EA), eV:	-8.58(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=CN2C3=C(CCC4=CC=CC=C43)C=O

DOS

IR

Vibrations