Geometry & MOs

Info

ID:	393482
PubChem CID:	135020743
Reduced:	PN4O5C38H47 (1)
Stoich.:	AB4C5D38E47 (1)
Weight, g/mol:	322.178024
ΔH_f, kcal/mol:	-115.31
Dipole, Da:	1.15
IP(EA), eV:	-7.92(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-hydroxy-7-[(4-methoxyphenyl)methoxy]-4-methylhept-2-enoate

Drug info:

PubChemData

Smile

CCOP(=O)(OCC)OCCCC1=C(C2=NC1=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=C2)N5)C=C)C)C=C)C)C(=C3CCCO)C)C

DOS

IR

Vibrations