Geometry & MOs

Info

ID:	244012
PubChem CID:	99309268
Reduced:	FO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	460.111
ΔH_f, kcal/mol:	-68.21
Dipole, Da:	2.65
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-cyclopropyl-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1NC2=NC=C(C=C2)C(=O)NCCNC(=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations