Geometry & MOs

Info

ID:	60968
PubChem CID:	26703729
Reduced:	N3O3H17C23 (1)
Stoich.:	A3B3C17D23 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	16.83
Dipole, Da:	4.29
IP(EA), eV:	-8.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-N-[(2R)-2-phenylbutyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=O)C4=CN(N=C4)C5=CC=CC=C5

DOS

IR

Vibrations