Geometry & MOs

Info

ID:	427113
PubChem CID:	135155549
Reduced:	O2N3C26H39 (1)
Stoich.:	A2B3C26D39 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-83.62
Dipole, Da:	1.26
IP(EA), eV:	-7.93(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)ethyl 2-oxoazepane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC1C2=C(CC1(C)C)C(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N

DOS

IR

Vibrations