Geometry & MOs

Info

ID:	272224
PubChem CID:	103736029
Reduced:	ClION2H10C15 (1)
Stoich.:	ABCD2E10F15 (1)
Weight, g/mol:	364.96795
ΔH_f, kcal/mol:	44.42
Dipole, Da:	7.28
IP(EA), eV:	-9.36(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-4-iodophenyl)-(1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)NC(=O)C2=CC(=C(C=C2)I)Cl

DOS

IR

Vibrations