Geometry & MOs

Info

ID:	203953
PubChem CID:	79893505
Reduced:	O2N4C13H18 (1)
Stoich.:	A2B4C13D18 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-47.12
Dipole, Da:	4.97
IP(EA), eV:	-8.17(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[4-(dimethylamino)butyl]-1,3-benzoxazole-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC(=O)CCNC1=NC2=C(C=CC=C2O1)N

DOS

IR

Vibrations