Geometry & MOs

Info

ID:	194884
PubChem CID:	78603104
Reduced:	OS2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	27.64
Dipole, Da:	2.83
IP(EA), eV:	-8.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[1-benzothiophene-2-carbonyl-[(1,5-dimethylpyrazol-3-yl)methyl]amino]methyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CCN1CCCC1CN(CC2=NC=CS2)C(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations