Geometry & MOs

Info

ID:	315772
PubChem CID:	126628734
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	700.236208
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	1.18
IP(EA), eV:	-8.18(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyren-1-ylmethyl 5-amino-2-[4-amino-2-(pyren-1-ylmethoxycarbonyl)phenyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)C2=C(C=C(C=C2)N)OC=O

DOS

IR

Vibrations