Geometry & MOs

Info

ID:	200139
PubChem CID:	79353065
Reduced:	SN3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	59.22
Dipole, Da:	3.67
IP(EA), eV:	-8.82(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1(C(C1(C)C)CNCC2=C(NN=C2)C3=CC=CS3)C

DOS

IR

Vibrations