Geometry & MOs

Info

ID:	177906
PubChem CID:	76250424
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	375.182588
ΔH_f, kcal/mol:	-25.53
Dipole, Da:	2.83
IP(EA), eV:	-8.53(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[[6-(dimethylamino)pyridin-3-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=C1)CNC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

DOS

IR

Vibrations