Geometry & MOs

Info

ID:	46313
PubChem CID:	10523835
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	380.214016
ΔH_f, kcal/mol:	-75.34
Dipole, Da:	3.37
IP(EA), eV:	-8.85(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15,16-dimethyl-13-[(Z)-2-(4-methylphenyl)ethenyl]tricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene-6-carbaldehyde

Drug info:

PubChemData

Smile

CCOC1=C2CN3C[C@H]4[C@@H](OC=C([C@H]4C[C@H]3C2=NC5=CC=CC=C51)COC)C

DOS

IR

Vibrations