Geometry & MOs

Info

ID:	294529
PubChem CID:	117467594
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-123.57
Dipole, Da:	4.86
IP(EA), eV:	-8.56(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-2,2-dimethyl-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC=C(C=C2)N3CCOCC3)C(=O)O

DOS

IR

Vibrations