Geometry & MOs

Info

ID:	30333
PubChem CID:	841151
Reduced:	N5O5C14H15 (1)
Stoich.:	A5B5C14D15 (1)
Weight, g/mol:	312.195011
ΔH_f, kcal/mol:	-28.95
Dipole, Da:	9.79
IP(EA), eV:	-9.25(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methylideneamino]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NN=CC1=CC=C(C=C1)O)N2C=C(C(=N2)OC)[N+](=O)[O-]

DOS

IR

Vibrations