Geometry & MOs

Info

ID:	244428
PubChem CID:	99350810
Reduced:	N2O5C24H28 (1)
Stoich.:	A2B5C24D28 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-129.41
Dipole, Da:	3.7
IP(EA), eV:	-7.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[C@H](C2)CNC(=O)/C=C/C3=CC4=C(C(=C3)OC)OCCO4

DOS

IR

Vibrations