Geometry & MOs

Info

ID:	420395
PubChem CID:	135112936
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	508.26857
ΔH_f, kcal/mol:	16.35
Dipole, Da:	5.23
IP(EA), eV:	-9.17(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,17R,18S)-5-methoxy-12-(1-methyl-2-oxopyridine-3-carbonyl)-7-oxa-12,15,22-triazatetracyclo[15.5.1.12,6.018,22]tetracosa-2(24),3,5-trien-14-one

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN(C)CC2=NN=C(O2)C(C)C

DOS

IR

Vibrations