Geometry & MOs

Info

ID:	175605
PubChem CID:	75926931
Reduced:	BrSN2O4C16H23 (1)
Stoich.:	ABC2D4E16F23 (1)
Weight, g/mol:	429.205242
ΔH_f, kcal/mol:	-177.45
Dipole, Da:	7.81
IP(EA), eV:	-9.09(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperidin-1-yl-[4-[(2-pyridin-3-yloxyphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-2-yl]methanone

Drug info:

PubChemData

Smile

CCCS(=O)(=O)C(C)C(=O)NCCC(=O)NC1=C(C=CC(=C1)Br)C

DOS

IR

Vibrations