Geometry & MOs

Info

ID:	364994
PubChem CID:	127316644
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-26.72
Dipole, Da:	2.86
IP(EA), eV:	-9.22(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-methyl-3-phenylpiperidine-1-carbonyl)-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)CN2C=NC3=C(C2=O)C=CS3)C4=CC=CC=C4

DOS

IR

Vibrations