Geometry & MOs

Info

ID:	196011
PubChem CID:	78766337
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-110.5
Dipole, Da:	5.07
IP(EA), eV:	-8.79(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyethanone

Drug info:

PubChemData

Smile

CCCCC1(C(=O)N(C(=O)N1)CC(=O)C2=C(N(C(=C2)C)CC)C)C3=CC=CC=C3

DOS

IR

Vibrations