Geometry & MOs

Info

ID:	82299
PubChem CID:	49855867
Reduced:	ClFPO2N4C29H29 (1)
Stoich.:	ABCD2E4F29G29 (1)
Weight, g/mol:	380.219889
ΔH_f, kcal/mol:	-55.44
Dipole, Da:	6.03
IP(EA), eV:	-8.61(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipentyl 2-[(4-hydroxy-3-methoxyphenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

CP1(=O)CCN(CC1)C/C=C/C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl

DOS

IR

Vibrations