Geometry & MOs

Info

ID:	256246
PubChem CID:	103137936
Reduced:	ON4C10H18 (1)
Stoich.:	AB4C10D18 (1)
Weight, g/mol:	254.116761
ΔH_f, kcal/mol:	-9.48
Dipole, Da:	3.92
IP(EA), eV:	-9.68(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-N-[(3-methyl-1,2-oxazol-5-yl)methyl]isoquinoline-5,8-diamine

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C=C(N=N2)C(C)N

DOS

IR

Vibrations