Geometry & MOs

Info

ID:	69224
PubChem CID:	46530476
Reduced:	ON3C23H25 (1)
Stoich.:	AB3C23D25 (1)
Weight, g/mol:	427.121818
ΔH_f, kcal/mol:	32.83
Dipole, Da:	5.36
IP(EA), eV:	-9.15(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[(1-phenylcyclobutyl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)NCC3(CCC3)C4=CC=CC=C4

DOS

IR

Vibrations