Geometry & MOs

Info

ID:	298951
PubChem CID:	117664432
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	-48.01
Dipole, Da:	7.41
IP(EA), eV:	-8.5(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-dimethoxy-6-[(E)-2-(3-methylphenyl)ethenyl]benzoate

Drug info:

PubChemData

Smile

CC[C@H](C(=O)N1C[C@H]2CC(C[C@H]2C1)N(C)C3=NC=NC4=C3C=CN4)O

DOS

IR

Vibrations