Geometry & MOs

Info

ID:	410536
PubChem CID:	135083334
Reduced:	N2O3H22C23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	356.152478
ΔH_f, kcal/mol:	-75.68
Dipole, Da:	5.69
IP(EA), eV:	-9.43(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[2-(12-oxo-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,13,15-octaen-10-yl)ethyl]but-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CC(=O)NCCC1=CC(=O)C2=CC=CC3=C2C1=NC4=CC=CC=C34)O

DOS

IR

Vibrations