Geometry & MOs

Info

ID:	345348
PubChem CID:	127269648
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-72.17
Dipole, Da:	3.86
IP(EA), eV:	-8.13(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-6-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCCC4

DOS

IR

Vibrations