Geometry & MOs

Info

ID:	336211
PubChem CID:	127255218
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	457.200156
ΔH_f, kcal/mol:	-27.6
Dipole, Da:	8.48
IP(EA), eV:	-8.76(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]-1-benzofuran-3-yl]-(3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)CCCCCN4C=CC=C4

DOS

IR

Vibrations