Geometry & MOs

Info

ID:	362947
PubChem CID:	127309953
Reduced:	ON4C20H26 (1)
Stoich.:	AB4C20D26 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-4.55
Dipole, Da:	4.91
IP(EA), eV:	-9.01(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2C1NC(=O)N3CCCC(C3)N4C=C(C=N4)C

DOS

IR

Vibrations