Geometry & MOs

Info

ID:	357529
PubChem CID:	127294174
Reduced:	ON7C21H27 (1)
Stoich.:	AB7C21D27 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	67.62
Dipole, Da:	10.02
IP(EA), eV:	-9.62(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC(=NC4=C3C=NN4C(C)C)C5CC5

DOS

IR

Vibrations