Geometry & MOs

Info

ID:	348831
PubChem CID:	127274479
Reduced:	NO4C22H23 (1)
Stoich.:	AB4C22D23 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-98.84
Dipole, Da:	4.68
IP(EA), eV:	-8.8(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=C(C3=C(O2)C=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations