Geometry & MOs

Info

ID:	308321
PubChem CID:	125326139
Reduced:	O3N7C19H21 (1)
Stoich.:	A3B7C19D21 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	14.59
Dipole, Da:	7.45
IP(EA), eV:	-8.9(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-1-pent-4-enoylpiperidin-2-yl]-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN([C@H](C1)NC(=O)COC)C2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)C

DOS

IR

Vibrations