Geometry & MOs

Info

ID:	426518
PubChem CID:	135144577
Reduced:	NO2C13H20 (2)
Stoich.:	AB2C13D20 (2)
Weight, g/mol:	384.132136
ΔH_f, kcal/mol:	-197.64
Dipole, Da:	3.76
IP(EA), eV:	-9.07(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydroxypropyl)-2-(7-oxo-3-pyrrol-1-yl-3a,9b-dihydrofuro[2,3-f]chromen-8-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(CN1CCC(CC1)OC2=CC=C(C=C2)C(=O)N3CCC(C3)C4CCCCC4)O)O

DOS

IR

Vibrations