Geometry & MOs

Info

ID:	158255
PubChem CID:	56463237
Reduced:	SO3N5C23H31 (1)
Stoich.:	AB3C5D23E31 (1)
Weight, g/mol:	388.226312
ΔH_f, kcal/mol:	-79.16
Dipole, Da:	6.66
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-[2-[cyclopropyl(methyl)amino]propyl]-3-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCC3)N(C)C4CC4

DOS

IR

Vibrations