Geometry & MOs

Info

ID:	251026
PubChem CID:	103100950
Reduced:	O2N5C10H17 (1)
Stoich.:	A2B5C10D17 (1)
Weight, g/mol:	211.106925
ΔH_f, kcal/mol:	-59.12
Dipole, Da:	1.38
IP(EA), eV:	-8.8(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)N)C(=O)N(CC)CC(=O)N

DOS

IR

Vibrations