Geometry & MOs

Info

ID:	383188
PubChem CID:	134974763
Reduced:	NOC8H19 (1)
Stoich.:	ABC8D19 (1)
Weight, g/mol:	420.136159
ΔH_f, kcal/mol:	-12.23
Dipole, Da:	13.8
IP(EA), eV:	-7.08(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-oxo-3-(pyren-1-ylmethoxy)prop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CCCC[N+](C)(C)CC[O-]

DOS

IR

Vibrations