Geometry & MOs

Info

ID:	342895
PubChem CID:	127266058
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	73.89
Dipole, Da:	5.41
IP(EA), eV:	-8.55(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]-2-methyl-5-(2-methylphenyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=C2)NCC3=NOC(=C3)C)C

DOS

IR

Vibrations