Geometry & MOs

Info

ID:	414192
PubChem CID:	135087148
Reduced:	OC7H8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	369.155178
ΔH_f, kcal/mol:	-42.06
Dipole, Da:	2.08
IP(EA), eV:	-9.57(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3E)-2-oxo-3-[[4-(trifluoromethyl)phenyl]methylidene]azepane-1-carboxylate

Drug info:

PubChemData

Smile

C/C(=C(\C1CC1)/C2=CC=CC=C2)/C(=O)OC

DOS

IR

Vibrations