Geometry & MOs

Info

ID:	360335
PubChem CID:	127300978
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-127.31
Dipole, Da:	3.9
IP(EA), eV:	-8.86(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[3-oxo-3-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CCN3C(=O)C4CCCCC4C3=O

DOS

IR

Vibrations