Geometry & MOs

Info

ID:	364997
PubChem CID:	127316647
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	364.178693
ΔH_f, kcal/mol:	-16.8
Dipole, Da:	6.3
IP(EA), eV:	-9.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C(=O)CN2C3=CC=CC=C3N=CC2=O)C4=CC=CC=C4

DOS

IR

Vibrations