Geometry & MOs

Info

ID:	352155
PubChem CID:	127283223
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-75.25
Dipole, Da:	4.6
IP(EA), eV:	-8.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)CC2=C(N=C3C=CNN3C2=O)C

DOS

IR

Vibrations