Geometry & MOs

Info

ID:	435915
PubChem CID:	135192759
Reduced:	ON4C18H22 (1)
Stoich.:	AB4C18D22 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	84.23
Dipole, Da:	3.41
IP(EA), eV:	-8.23(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-amino-5-methylpyridin-3-yl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N)C2=CN(C(=N2)C(C3CC3)O)C45CC(C4)C5

DOS

IR

Vibrations