Geometry & MOs

Info

ID:	366019
PubChem CID:	127319324
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-15.23
Dipole, Da:	7.53
IP(EA), eV:	-8.46(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzoxazin-4-yl-(1-methylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)NC2=CC=C(C=C2)C3=CN=C(O3)C4CC4

DOS

IR

Vibrations