Geometry & MOs

Info

ID:	283051
PubChem CID:	103955676
Reduced:	NO3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	-127.78
Dipole, Da:	3.87
IP(EA), eV:	-9.18(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)CC2CCCCO2)O

DOS

IR

Vibrations