Geometry & MOs

Info

ID:	349544
PubChem CID:	127275431
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-61.53
Dipole, Da:	5.61
IP(EA), eV:	-9.06(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(3-methylphenyl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=CN=CC=C2

DOS

IR

Vibrations