Geometry & MOs

Info

ID:	307302
PubChem CID:	125299526
Reduced:	OSN6H12C14 (1)
Stoich.:	ABC6D12E14 (1)
Weight, g/mol:	155.069477
ΔH_f, kcal/mol:	143.68
Dipole, Da:	1.35
IP(EA), eV:	-9.36(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-5-amino-3-methyl-3H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(C1)C2=NN=C3N2N=C(S3)COC4=CC=CC=C4

DOS

IR

Vibrations