Geometry & MOs

Info

ID:	217176
PubChem CID:	85087377
Reduced:	NOSiC21H29 (1)
Stoich.:	ABCD21E29 (1)
Weight, g/mol:	349.141786
ΔH_f, kcal/mol:	-28.66
Dipole, Da:	0.93
IP(EA), eV:	-9.26(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-chloro-2,3,3a,5,5a,6,7,8,9,9a-decahydro-1H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-pyridin-4-ylacetamide

Drug info:

PubChemData

Smile

CCC1CCC2C1C=CC(C2C(=O)C3=CC=CN3)C#C[Si](C)(C)C

DOS

IR

Vibrations