Geometry & MOs

Info

ID:	343466
PubChem CID:	127266639
Reduced:	O3N5C16H21 (1)
Stoich.:	A3B5C16D21 (1)
Weight, g/mol:	349.157246
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	2.48
IP(EA), eV:	-9.32(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(1-ethylpyrazol-3-yl)acetyl]amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)N2CCOCC2C3=CC=NN3C

DOS

IR

Vibrations