Geometry & MOs

Info

ID:	247998
PubChem CID:	103078060
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	211.14331
ΔH_f, kcal/mol:	-2.82
Dipole, Da:	2.56
IP(EA), eV:	-7.78(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-1-methylpyrazol-3-yl)amino]-N-propylacetamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NCC2=CC(=C(C=C2)OC)OC)N

DOS

IR

Vibrations