Geometry & MOs

Info

ID:	144522
PubChem CID:	53380382
Reduced:	ON5H19C20 (1)
Stoich.:	AB5C19D20 (1)
Weight, g/mol:	382.00659
ΔH_f, kcal/mol:	79.02
Dipole, Da:	6.16
IP(EA), eV:	-9.3(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-1-(4-methoxy-2-phenylmethoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(N2C=CN=C(C2=N1)C3=CC=NC=C3)C4=CN=C(C=C4)CCOC

DOS

IR

Vibrations