Geometry & MOs

Info

ID:	397396
PubChem CID:	135030157
Reduced:	N3O6C11H17 (1)
Stoich.:	A3B6C11D17 (1)
Weight, g/mol:	298.123676
ΔH_f, kcal/mol:	-259.36
Dipole, Da:	4.46
IP(EA), eV:	-9.91(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-3-phenyl-5-propan-2-yl-3,4-dihydropyrazole

Drug info:

PubChemData

Smile

C1C2C(C3C4C1(CC(O2)(O3)O)NC(=NC4O)N)(CO)O

DOS

IR

Vibrations