Geometry & MOs

Info

ID:	76984
PubChem CID:	48425666
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	312.136845
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	4.85
IP(EA), eV:	-8.74(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC=CC=C1OCC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations