Geometry & MOs

Info

ID:	42930
PubChem CID:	10317232
Reduced:	NO3H23C24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	373.167794
ΔH_f, kcal/mol:	-60.19
Dipole, Da:	2.55
IP(EA), eV:	-8.33(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,2-dimethylchromen-6-yl)-[3-(pyridin-4-ylmethoxy)phenyl]methanol

Drug info:

PubChemData

Smile

CCC1=C(C=C2C3=CC=CC=C3N(C2=C1C4=CC=CC=C4)C(=O)OCC)OC

DOS

IR

Vibrations