Geometry & MOs

Info

ID:	427367
PubChem CID:	135157734
Reduced:	SN2O3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	167.105862
ΔH_f, kcal/mol:	-63.74
Dipole, Da:	1.16
IP(EA), eV:	-8.25(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(3-methylpyrazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C(=CC(=C2)C3=CC(=C(C=C3)OC)OC)O[C@H](C)[C@@H]4CCNC4

DOS

IR

Vibrations