Geometry & MOs

Info

ID:	61195
PubChem CID:	26706953
Reduced:	ClN3O3C22H24 (1)
Stoich.:	AB3C3D22E24 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-102.82
Dipole, Da:	6.57
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[4-(diethylcarbamoyl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=C(C=C2)Cl)N3CCCC3=O

DOS

IR

Vibrations