Geometry & MOs

Info

ID:	69043
PubChem CID:	46516544
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	-40.98
Dipole, Da:	3.7
IP(EA), eV:	-9.07(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)C3CCCN(C3)C(=O)C4=CC=CO4

DOS

IR

Vibrations