Geometry & MOs

Info

ID:	343363
PubChem CID:	127266536
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-0.09
Dipole, Da:	6.18
IP(EA), eV:	-9.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexyl-1-hydroxypropan-2-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CN2C=CN=N2)C(=O)C=CC3=CC(=CC=C3)O

DOS

IR

Vibrations