Geometry & MOs

Info

ID:	31864
PubChem CID:	3721618
Reduced:	FON6C24H31 (1)
Stoich.:	ABC6D24E31 (1)
Weight, g/mol:	376.262697
ΔH_f, kcal/mol:	32.4
Dipole, Da:	6.89
IP(EA), eV:	-8.77(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1-adamantyl)-2-pyrrolidin-1-ylquinazolin-4-amine

Drug info:

PubChemData

Smile

CC(C)C(C1=NN=NN1CC2=CC=C(C=C2)F)N3CCN(CC3)CC4=CC=CC=C4OC

DOS

IR

Vibrations