Geometry & MOs

Info

ID:	71013
PubChem CID:	48414178
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	378.03275
ΔH_f, kcal/mol:	-10.35
Dipole, Da:	7.44
IP(EA), eV:	-9.3(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCC2=NC=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations