Geometry & MOs

Info

ID:	197964
PubChem CID:	79023009
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	-40.73
Dipole, Da:	4.45
IP(EA), eV:	-8.69(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(1-propan-2-ylpyrazol-4-yl)butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NC1=CC(=CC=C1)OC2=CC=CC=C2)N

DOS

IR

Vibrations