Geometry & MOs

Info

ID:	217370
PubChem CID:	85087709
Reduced:	ON7C18H31 (1)
Stoich.:	AB7C18D31 (1)
Weight, g/mol:	357.139865
ΔH_f, kcal/mol:	34.08
Dipole, Da:	4.16
IP(EA), eV:	-8.66(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7,11-trimethyl-2-methylsulfanyl-3-phenoxy-10-oxa-5-azatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCN(CC1C2NNNN2)C)NC3=CC=CC=C3

DOS

IR

Vibrations