Geometry & MOs

Info

ID:	216275
PubChem CID:	85085975
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-67.18
Dipole, Da:	2.2
IP(EA), eV:	-9.16(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-12-ethylidene-10-methyl-3-thia-5-azatricyclo[6.3.1.02,6]dodeca-2(6),9-dien-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(C)N2C(CCCC2=O)O

DOS

IR

Vibrations