Geometry & MOs

Info

ID:	341489
PubChem CID:	127264182
Reduced:	N4O4C13H18 (1)
Stoich.:	A4B4C13D18 (1)
Weight, g/mol:	252.140638
ΔH_f, kcal/mol:	-153.3
Dipole, Da:	6.85
IP(EA), eV:	-9.76(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]acetonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN1C(=O)C(NC1=O)C2=CN(C=N2)C

DOS

IR

Vibrations