Geometry & MOs

Info

ID:	266539
PubChem CID:	103569969
Reduced:	O2N6C9H14 (1)
Stoich.:	A2B6C9D14 (1)
Weight, g/mol:	182.116761
ΔH_f, kcal/mol:	22.4
Dipole, Da:	4.03
IP(EA), eV:	-9.88(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(1-ethylpyrazol-4-yl)propanamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(C(=O)O)NCCN=[N+]=[N-]

DOS

IR

Vibrations