Geometry & MOs

Info

ID:	244429
PubChem CID:	99350811
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-106.53
Dipole, Da:	3.63
IP(EA), eV:	-7.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-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)C3=CC4=C(C=C3)OCC(=O)N4

DOS

IR

Vibrations