Geometry & MOs

Info

ID:	308286
PubChem CID:	125325717
Reduced:	N4O7C21H26 (1)
Stoich.:	A4B7C21D26 (1)
Weight, g/mol:	286.142976
ΔH_f, kcal/mol:	-250.74
Dipole, Da:	10.62
IP(EA), eV:	-9.41(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-4H-pyrazole-3-carbohydrazide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)[C@@H](C2=C3C=CC(=CC3=NC2)NC(=O)CCC(=O)O)C(=O)O

DOS

IR

Vibrations