Geometry & MOs

Info

ID:	158062
PubChem CID:	56459452
Reduced:	ClO2N3C27H34 (1)
Stoich.:	AB2C3D27E34 (1)
Weight, g/mol:	468.192818
ΔH_f, kcal/mol:	-80.77
Dipole, Da:	4.62
IP(EA), eV:	-8.83(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3CCN(CC3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations