Geometry & MOs

Info

ID:	270937
PubChem CID:	103638849
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	279.085521
ΔH_f, kcal/mol:	-110.91
Dipole, Da:	2.62
IP(EA), eV:	-8.8(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxy-4-nitrobenzoyl)-1,4-diazepan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNCCN(C)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations