Geometry & MOs

Info

ID:	277847
PubChem CID:	103831255
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	210.148061
ΔH_f, kcal/mol:	-118.8
Dipole, Da:	5.06
IP(EA), eV:	-9.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-(2-methylpyrazol-3-yl)hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=C(C=CC(=C1)C(=O)N)OC)N

DOS

IR

Vibrations