Geometry & MOs

Info

ID:	438697
PubChem CID:	135228448
Reduced:	N2H5C6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	309.136493
ΔH_f, kcal/mol:	96.96
Dipole, Da:	2.56
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dihydroisoindole-2-carbonyl)-2-hydroxy-5-propan-2-ylbenzaldehyde

Drug info:

PubChemData

Smile

CC1=CN=CN=C1C2=CC3=C(C=C2)C=NN3

DOS

IR

Vibrations