Geometry & MOs

Info

ID:	56056
PubChem CID:	17404058
Reduced:	NO5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	403.204196
ΔH_f, kcal/mol:	-170.35
Dipole, Da:	1.97
IP(EA), eV:	-8.41(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-[4-[3-methyl-1-(2-methylpropyl)thieno[2,3-c]pyrazole-5-carbonyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CCC(=O)NC2=CC3=C(C=C2)OCCCO3)C(=O)C

DOS

IR

Vibrations