Geometry & MOs

Info

ID:	201358
PubChem CID:	79527396
Reduced:	BrON2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-50.92
Dipole, Da:	4.79
IP(EA), eV:	-9.0(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Br)NC(=O)C2CCC(CC2)CN

DOS

IR

Vibrations