Geometry & MOs

Info

ID:	306682
PubChem CID:	125165290
Reduced:	ON6C18H24 (1)
Stoich.:	AB6C18D24 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	48.5
Dipole, Da:	5.63
IP(EA), eV:	-9.04(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(3-amino-3-oxopropyl)-3,5-dimethylpyrazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

Drug info:

PubChemData

Smile

CN1C=C(C=C1C#N)CN(C)CCNC2=NC=NC(=C2)[C@@H]3CCOC3

DOS

IR

Vibrations