Geometry & MOs

Info

ID:	320177
PubChem CID:	126658557
Reduced:	PN4O7C20H33 (1)
Stoich.:	AB4C7D20E33 (1)
Weight, g/mol:	288.136159
ΔH_f, kcal/mol:	-354.45
Dipole, Da:	5.81
IP(EA), eV:	-8.84(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2Z)-3-(4-hydroxyphenyl)penta-2,4-dien-2-yl]oxy-3-methylbut-2-enoate

Drug info:

PubChemData

Smile

CCC(C)(O)P(=O)(O)OC(CC)(CC)CC1[C@H]([C@H]([C@@H](O1)N2C=CC3=C(N=CN=C32)N)O)O

DOS

IR

Vibrations