Geometry & MOs

Info

ID:	389109
PubChem CID:	134991181
Reduced:	NO3C28H29 (1)
Stoich.:	AB3C28D29 (1)
Weight, g/mol:	373.939946
ΔH_f, kcal/mol:	-49.99
Dipole, Da:	1.24
IP(EA), eV:	-8.65(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3C[C@@H]4CCC3C[C@@H]4C=C)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations