Geometry & MOs

Info

ID:	244816
PubChem CID:	99395808
Reduced:	N2O5C22H32 (1)
Stoich.:	A2B5C22D32 (1)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	-190.85
Dipole, Da:	7.99
IP(EA), eV:	-8.36(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC[C@H]1CCCN(C1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC

DOS

IR

Vibrations