Geometry & MOs

Info

ID:	263492
PubChem CID:	103371832
Reduced:	ON2F3C11H19 (1)
Stoich.:	AB2C3D11E19 (1)
Weight, g/mol:	302.160598
ΔH_f, kcal/mol:	-212.5
Dipole, Da:	2.3
IP(EA), eV:	-9.14(1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-propan-2-yloxyphenyl)-6-(trifluoromethyl)-1,4-diazepane

Drug info:

PubChemData

Smile

C1CC(OC1)CN2CCNCC(C2)C(F)(F)F

DOS

IR

Vibrations