Geometry & MOs

Info

ID:	438793
PubChem CID:	135228550
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	388.152203
ΔH_f, kcal/mol:	-113.85
Dipole, Da:	7.43
IP(EA), eV:	-8.66(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R)-3-formyl-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(C=C4)N)C(C)(C)C

DOS

IR

Vibrations