Geometry & MOs

Info

ID:	187407
PubChem CID:	77570787
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	490.177168
ΔH_f, kcal/mol:	-108.13
Dipole, Da:	7.15
IP(EA), eV:	-9.39(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-chloro-6-[2-(2,5-dihydropyrrol-1-yl)ethyl]-2-(3-hydroxyphenyl)-8-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione

Drug info:

PubChemData

Smile

C1C(CN(C1COC2=CC=CC=C2)C(=O)O)N

DOS

IR

Vibrations