Geometry & MOs

Info

ID:	298926
PubChem CID:	117664390
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	354.183109
ΔH_f, kcal/mol:	-55.22
Dipole, Da:	7.58
IP(EA), eV:	-8.6(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-2-(2,6-dimethoxyphenyl)ethenyl]-3-methoxy-2-(3-methylbut-3-enyl)phenol

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CN2)C(=N1)N[C@@H]3CC[C@H]4CN(C[C@H]4C3)C(=O)CO

DOS

IR

Vibrations