Geometry & MOs

Info

ID:	69295
PubChem CID:	46530604
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	495.22704
ΔH_f, kcal/mol:	-68.75
Dipole, Da:	2.64
IP(EA), eV:	-9.25(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)N(C)C)N=C(C1=O)C

DOS

IR

Vibrations