Geometry & MOs

Info

ID:	154159
PubChem CID:	56313560
Reduced:	BrO3N4H21C24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	490.07529
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	5.0
IP(EA), eV:	-9.25(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC1C(=O)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations