Geometry & MOs

Info

ID:	145859
PubChem CID:	53604065
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	294.205576
ΔH_f, kcal/mol:	50.24
Dipole, Da:	2.39
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxolan-2-ylmethyl)-2-(3-pyrazol-1-ylbutan-2-ylamino)propanamide

Drug info:

PubChemData

Smile

CCC1=NN=C2N1CCN(C2)C(=O)C3=CN=C(C=C3)NC4CC4

DOS

IR

Vibrations