Geometry & MOs

Info

ID:	298966
PubChem CID:	117664556
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	366.183109
ΔH_f, kcal/mol:	-6.17
Dipole, Da:	4.13
IP(EA), eV:	-7.79(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-4-methoxy-3-(3-methylbut-3-enyl)-6-[(E)-3-phenylprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC1NC2C(C=CN2)C(N1)NC3=CC4=CN(CC4=C3)C(CO)CO

DOS

IR

Vibrations