Geometry & MOs

Info

ID:	337006
PubChem CID:	127256571
Reduced:	ClN3C7H17 (2)
Stoich.:	AB3C7D17 (2)
Weight, g/mol:	266.094294
ΔH_f, kcal/mol:	-88.11
Dipole, Da:	2.84
IP(EA), eV:	-9.38(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2H-chromen-4-yl 2-phenylacetate

Drug info:

PubChemData

Smile

C(CCCCCCN=C(N)N)CCCCCN=C(N)N.Cl.Cl

DOS

IR

Vibrations