Geometry & MOs

Info

ID:	203950
PubChem CID:	79893013
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-11.3
Dipole, Da:	3.16
IP(EA), eV:	-8.11(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-amino-1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1(CCCC1)CNC2=NC3=C(C=CC=C3O2)N

DOS

IR

Vibrations