Geometry & MOs

Info

ID:	14019
PubChem CID:	401556
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	319.132077
ΔH_f, kcal/mol:	30.15
Dipole, Da:	3.05
IP(EA), eV:	-8.84(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]benzoate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)N=CC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations