Geometry & MOs

Info

ID:	334622
PubChem CID:	127253297
Reduced:	N3O4C23H35 (1)
Stoich.:	A3B4C23D35 (1)
Weight, g/mol:	469.173667
ΔH_f, kcal/mol:	-156.81
Dipole, Da:	3.61
IP(EA), eV:	-8.72(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(hydroxymethyl)-4-methoxyphenyl]-3-[(2Z)-6-hydroxy-2-(morpholin-4-ylmethylidene)-3-oxo-1-benzofuran-7-yl]propanoate

Drug info:

PubChemData

Smile

COCCN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations