Geometry & MOs

Info

ID:	121040
PubChem CID:	50753972
Reduced:	O2N5C26H27 (1)
Stoich.:	A2B5C26D27 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	12.52
Dipole, Da:	3.66
IP(EA), eV:	-9.17(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-2-[11-(4-methylphenyl)-2-oxo-1,8,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC(=O)CN2C3=C(CCC3)C(=O)N4C2=NC(=N4)C5=CC=CC=C5

DOS

IR

Vibrations