Geometry & MOs

Info

ID:	346456
PubChem CID:	127270960
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	357.114713
ΔH_f, kcal/mol:	-33.19
Dipole, Da:	8.21
IP(EA), eV:	-8.97(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-(4-cyclopropylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC4=C3NN=C4)C)C

DOS

IR

Vibrations