Geometry & MOs

Info

ID:	349526
PubChem CID:	127275413
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-64.54
Dipole, Da:	5.0
IP(EA), eV:	-9.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-pyridin-2-yl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations