Geometry & MOs

Info

ID:	349218
PubChem CID:	127274944
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-78.59
Dipole, Da:	2.66
IP(EA), eV:	-8.75(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6,6-trimethyl-2-(2-methyl-1,4-oxazepane-4-carbonyl)-5,7-dihydro-1H-indol-4-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC=C(N2C)C

DOS

IR

Vibrations