Geometry & MOs

Info

ID:	193015
PubChem CID:	78337141
Reduced:	NOC6H6 (4)
Stoich.:	ABC6D6 (4)
Weight, g/mol:	328.226312
ΔH_f, kcal/mol:	-39.87
Dipole, Da:	4.74
IP(EA), eV:	-8.99(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-N-[(3,3,5-trimethylcyclohexylidene)amino]pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CN1)CCCN2C(C(=C(C2=O)O)C(=O)C3=CC4=CC=CC=C4O3)C5=CN=CC=C5

DOS

IR

Vibrations