Geometry & MOs

Info

ID:	235670
PubChem CID:	92710375
Reduced:	OSN2C20H24 (1)
Stoich.:	ABC2D20E24 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-17.28
Dipole, Da:	2.44
IP(EA), eV:	-8.49(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3S)-6-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetate

Drug info:

PubChemData

Smile

C[C@H]1CN(C2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations