Geometry & MOs

Info

ID:	439535
PubChem CID:	135229311
Reduced:	O3N7C22H31 (1)
Stoich.:	A3B7C22D31 (1)
Weight, g/mol:	252.188944
ΔH_f, kcal/mol:	-22.43
Dipole, Da:	4.59
IP(EA), eV:	-8.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoropropoxy)-2-heptan-3-ylbenzene

Drug info:

PubChemData

Smile

CC(C)C1=CN=C2N1C(=O)N(C=C2NC(=C)/C(=N\N(C)C)/OC)C3CCN(C3)C(=O)C=C

DOS

IR

Vibrations