Geometry & MOs

Info

ID:	334915
PubChem CID:	127253721
Reduced:	N3O4H27C30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	532.220951
ΔH_f, kcal/mol:	-45.46
Dipole, Da:	5.16
IP(EA), eV:	-8.37(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCC5=NC6=CC=CC=C6N5)OC

DOS

IR

Vibrations