Geometry & MOs

Info

ID:	238739
PubChem CID:	92765328
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	457.236542
ΔH_f, kcal/mol:	-40.55
Dipole, Da:	3.47
IP(EA), eV:	-8.64(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-phenoxyethyl)piperazin-1-yl]-1-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC2=CC=CC=C21)N3CCN(CC3)CCOC4=CC=CC=C4

DOS

IR

Vibrations