Geometry & MOs

Info

ID:	271939
PubChem CID:	103703080
Reduced:	O2N3C11H19 (1)
Stoich.:	A2B3C11D19 (1)
Weight, g/mol:	255.11201
ΔH_f, kcal/mol:	-75.18
Dipole, Da:	3.67
IP(EA), eV:	-9.06(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phthalazin-1-amine

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)NCC(C)(CCOC)O

DOS

IR

Vibrations