Geometry & MOs

Info

ID:	155596
PubChem CID:	56366168
Reduced:	O3N6C22H24 (1)
Stoich.:	A3B6C22D24 (1)
Weight, g/mol:	427.06439
ΔH_f, kcal/mol:	-43.2
Dipole, Da:	7.8
IP(EA), eV:	-9.54(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromopyrazol-1-yl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CCN2C=CN=C2)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations