Geometry & MOs

Info

ID:	62899
PubChem CID:	26737545
Reduced:	O3N4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-17.29
Dipole, Da:	8.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.953922
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-2H-chromene-3-carbohydrazide

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CCC(=O)NNC(=O)C2=CC3=CC=CC=C3OC2)C4=CC=CC=C4

DOS

IR

Vibrations