Geometry & MOs

Info

ID:	57251
PubChem CID:	22395541
Reduced:	NO4H25C34 (1)
Stoich.:	AB4C25D34 (1)
Weight, g/mol:	431.173273
ΔH_f, kcal/mol:	-61.85
Dipole, Da:	5.93
IP(EA), eV:	-8.59(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-acetamido-2-(pyren-1-ylmethyl)propanedioate

Drug info:

PubChemData

Smile

CC(C(=O)O)N(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

DOS

IR

Vibrations