Geometry & MOs

Info

ID:	243827
PubChem CID:	99239881
Reduced:	BrN4O4C20H21 (1)
Stoich.:	AB4C4D20E21 (1)
Weight, g/mol:	448.111
ΔH_f, kcal/mol:	-70.93
Dipole, Da:	5.26
IP(EA), eV:	-8.51(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[(1R)-1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NN2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5)Br

DOS

IR

Vibrations