Geometry & MOs

Info

ID:	349541
PubChem CID:	127275428
Reduced:	N3O3C11H17 (1)
Stoich.:	A3B3C11D17 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-81.51
Dipole, Da:	1.98
IP(EA), eV:	-9.41(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(4-methylphenyl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=NOC(=C2)C

DOS

IR

Vibrations