Geometry & MOs

Info

ID:	425037
PubChem CID:	135124924
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	366.144038
ΔH_f, kcal/mol:	-102.82
Dipole, Da:	2.66
IP(EA), eV:	-8.55(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyanooxan-3-yl)-3-[(3-methyl-1,2-benzoxazol-5-yl)amino]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C(=O)C)C=CC(=C2)C3=CC(=CC=C3)N)NC(=O)O

DOS

IR

Vibrations