Geometry & MOs

Info

ID:	137564
PubChem CID:	52228706
Reduced:	N3O5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	410.150954
ΔH_f, kcal/mol:	-150.43
Dipole, Da:	3.26
IP(EA), eV:	-8.49(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-5-ethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)CC1=CC=C(C=C1)NC(=O)[C@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations